0276-0081 Screening compound: methyl 2-{2-[2-(2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanamido)-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido}-3-methylbutanoate

0276-0081 Screening compound: methyl 2-{2-[2-(2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanamido)-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido}-3-methylbutanoate
0276-0081 Screening compound: methyl 2-{2-[2-(2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanamido)-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido}-3-methylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0276-0081
methyl 2-{2-[2-(2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanamido)-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido}-3-methylbutanoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

0276-0081

Molecular Formula

C37H51N5O7 (C37 H51 N5 O7)

Compound Name

methyl 2-{2-[2-(2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanamido)-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido}-3-methylbutanoate

IUPAC name

methyl 2-{2-[2-(2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanamido)-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido}-3-methylbutanoate

SMILES

CC(C)CC(C(NC(Cc1ccccc1)C(NC(Cc1c[nH]c2c1cccc2)C(NC(C(C)C)C(OC)=O)=O)=O)=O)NC(OC(C)(C)C)=O

InChI

InChI=1S/C37H51N5O7/c1-22(2)18-28(41-36(47)49-37(5,6)7)32(43)39-29(19-24-14-10-9-11-15-24)33(44)40-30(34(45)42-31(23(3)4)35(46)48-8)20-25-21-38-27-17-13-12-16-26(25)27/h9-17,21-23,28-31,38H,18-20H2,1-8H3,(H,39,43)(H,40,44)(H,41,47)(H,42,45)

InChI Key

MJVIRANBWGLQDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00619126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

677.84

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

22.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

6.448

Distribution Coefficient, logD

6.448

Water Solubility, LogSw

-5.92

Polar Surface Area

135.185

Acid Dissociation Constant (pKa)

12.41

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

48.60

0276-0081 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0276-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0276-0081?
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What is the minimum amount of 0276-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0276-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0276-0081
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 0276-0081 available by request