6623-2048 Screening compound: benzyl 4-{3-[4-(benzyloxy)phenyl]-2-{[(tert-butoxy)carbonyl]amino}propanamido}-4-[(2-ethoxy-2-oxoethyl)carbamoyl]butanoate

6623-2048 Screening compound: benzyl 4-{3-[4-(benzyloxy)phenyl]-2-{[(tert-butoxy)carbonyl]amino}propanamido}-4-[(2-ethoxy-2-oxoethyl)carbamoyl]butanoate
6623-2048 Screening compound: benzyl 4-{3-[4-(benzyloxy)phenyl]-2-{[(tert-butoxy)carbonyl]amino}propanamido}-4-[(2-ethoxy-2-oxoethyl)carbamoyl]butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6623-2048
benzyl 4-{3-[4-(benzyloxy)phenyl]-2-{[(tert-butoxy)carbonyl]amino}propanamido}-4-[(2-ethoxy-2-oxoethyl)carbamoyl]butanoate

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

6623-2048

Molecular Formula

C37H45N3O9 (C37 H45 N3 O9)

Compound Name

benzyl 4-{3-[4-(benzyloxy)phenyl]-2-{[(tert-butoxy)carbonyl]amino}propanamido}-4-[(2-ethoxy-2-oxoethyl)carbamoyl]butanoate

IUPAC name

benzyl 4-{3-[4-(benzyloxy)phenyl]-2-{[(tert-butoxy)carbonyl]amino}propanamido}-4-[(2-ethoxy-2-oxoethyl)carbamoyl]butanoate

SMILES

CCOC(CNC(C(CCC(OCc1ccccc1)=O)NC(C(Cc(cc1)ccc1OCc1ccccc1)NC(OC(C)(C)C)=O)=O)=O)=O

InChI

InChI=1S/C37H45N3O9/c1-5-46-33(42)23-38-34(43)30(20-21-32(41)48-25-28-14-10-7-11-15-28)39-35(44)31(40-36(45)49-37(2,3)4)22-26-16-18-29(19-17-26)47-24-27-12-8-6-9-13-27/h6-19,30-31H,5,20-25H2,1-4H3,(H,38,43)(H,39,44)(H,40,45)

InChI Key

MOTLCNNVGQNBIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00301867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

675.78

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

24.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

6.111

Distribution Coefficient, logD

6.111

Water Solubility, LogSw

-5.54

Polar Surface Area

128.393

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.80

6623-2048 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6623-2048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6623-2048?
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What is the minimum amount of 6623-2048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6623-2048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6623-2048
  • 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 6623-2048 available by request