G877-0032 Screening compound: methyl 4-{2-[(1-cyclopentyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate

G877-0032 Screening compound: methyl 4-{2-[(1-cyclopentyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate
G877-0032 Screening compound: methyl 4-{2-[(1-cyclopentyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G877-0032
methyl 4-{2-[(1-cyclopentyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate

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

G877-0032

Molecular Formula

C18H21N3O3S (C18 H21 N3 O3 S)

Compound Name

methyl 4-{2-[(1-cyclopentyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate

IUPAC name

methyl 4-{2-[(1-cyclopentyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate

SMILES

COC(c(cc1)ccc1NC(CSc1nccn1C1CCCC1)=O)=O

InChI

InChI=1S/C18H21N3O3S/c1-24-17(23)13-6-8-14(9-7-13)20-16(22)12-25-18-19-10-11-21(18)15-4-2-3-5-15/h6-11,15H,2-5,12H2,1H3,(H,20,22)

InChI Key

PBTQPFSQNIECII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09239179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.272

Distribution Coefficient, logD

3.268

Water Solubility, LogSw

-3.56

Polar Surface Area

57.040

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

G877-0032 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G877-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G877-0032?
Check Price and Availability of G877-0032, 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 G877-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G877-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G877-0032
  • 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 G877-0032 available by request