C592-0299 Screening compound: ethyl 2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate

C592-0299 Screening compound: ethyl 2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
C592-0299 Screening compound: ethyl 2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-0299
ethyl 2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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

C592-0299

Molecular Formula

C19H24N4O3S (C19 H24 N4 O3 S)

Compound Name

ethyl 2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate

IUPAC name

ethyl 2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-124-triazol-3-yl]sulfanyl}butanoate

SMILES

CCC(C(OCC)=O)Sc1nnc(-c2c[nH]c3c2cccc3)n1CCOC

InChI

InChI=1S/C19H24N4O3S/c1-4-16(18(24)26-5-2)27-19-22-21-17(23(19)10-11-25-3)14-12-20-15-9-7-6-8-13(14)15/h6-9,12,16,20H,4-5,10-11H2,1-3H3/t16-/m0/s1

InChI Key

YUDIUJJLCUXJPJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD04470025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.808

Distribution Coefficient, logD

3.808

Water Solubility, LogSw

-3.89

Polar Surface Area

63.458

Acid Dissociation Constant (pKa)

17.84

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

C592-0299 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C592-0299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-0299?
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What is the minimum amount of C592-0299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-0299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-0299
  • 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 C592-0299 available by request