V009-6271 Screening compound: ethyl 1-[3-(1H-indol-3-yl)-2-({[4-(methylsulfanyl)phenyl]carbamoyl}amino)propanoyl]piperidine-3-carboxylate

V009-6271 Screening compound: ethyl 1-[3-(1H-indol-3-yl)-2-({[4-(methylsulfanyl)phenyl]carbamoyl}amino)propanoyl]piperidine-3-carboxylate
V009-6271 Screening compound: ethyl 1-[3-(1H-indol-3-yl)-2-({[4-(methylsulfanyl)phenyl]carbamoyl}amino)propanoyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-6271
ethyl 1-[3-(1H-indol-3-yl)-2-({[4-(methylsulfanyl)phenyl]carbamoyl}amino)propanoyl]piperidine-3-carboxylate

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

V009-6271

Molecular Formula

C27H32N4O4S (C27 H32 N4 O4 S)

Compound Name

ethyl 1-[3-(1H-indol-3-yl)-2-({[4-(methylsulfanyl)phenyl]carbamoyl}amino)propanoyl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[3-(1H-indol-3-yl)-2-({[4-(methylsulfanyl)phenyl]carbamoyl}amino)propanoyl]piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(C(Cc1c[nH]c2c1cccc2)NC(Nc(cc1)ccc1SC)=O)=O)=O

InChI

InChI=1S/C27H32N4O4S/c1-3-35-26(33)18-7-6-14-31(17-18)25(32)24(15-19-16-28-23-9-5-4-8-22(19)23)30-27(34)29-20-10-12-21(36-2)13-11-20/h4-5,8-13,16,18,24,28H,3,6-7,14-15,17H2,1-2H3,(H2,29,30,34)

InChI Key

NVAXFWJVCMKCNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01262336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.349

Distribution Coefficient, logD

4.349

Water Solubility, LogSw

-4.07

Polar Surface Area

80.700

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.00

V009-6271 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Indole Derivatives (10091 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V009-6271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-6271?
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What is the minimum amount of V009-6271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-6271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-6271
  • 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 V009-6271 available by request