0276-0085 Screening compound: methyl 2-(2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanamido)-3-methylpentanoate

0276-0085 Screening compound: methyl 2-(2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanamido)-3-methylpentanoate
0276-0085 Screening compound: methyl 2-(2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanamido)-3-methylpentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0276-0085
methyl 2-(2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanamido)-3-methylpentanoate

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

0276-0085

Molecular Formula

C18H34N2O5 (C18 H34 N2 O5)

Compound Name

methyl 2-(2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanamido)-3-methylpentanoate

IUPAC name

methyl 2-(2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanamido)-3-methylpentanoate

SMILES

CCC(C)C(C(OC)=O)NC(C(CC(C)C)NC(OC(C)(C)C)=O)=O

InChI

InChI=1S/C18H34N2O5/c1-9-12(4)14(16(22)24-8)20-15(21)13(10-11(2)3)19-17(23)25-18(5,6)7/h11-14H,9-10H2,1-8H3,(H,19,23)(H,20,21)

InChI Key

PRUPWABMPYCIQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00619156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.349

Distribution Coefficient, logD

4.349

Water Solubility, LogSw

-4.22

Polar Surface Area

77.227

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

83.30

0276-0085 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0276-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0276-0085?
Check Price and Availability of 0276-0085, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0276-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0276-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0276-0085
  • 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 0276-0085 available by request