V022-8687 Screening compound: ethyl 1-[2-({[(4-fluorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}methyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate

V022-8687 Screening compound: ethyl 1-[2-({[(4-fluorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}methyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate
V022-8687 Screening compound: ethyl 1-[2-({[(4-fluorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}methyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-8687
ethyl 1-[2-({[(4-fluorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}methyl)-1,3-oxazole-4-carbonyl]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

V022-8687

Molecular Formula

C30H33FN4O4 (C30 H33 FN4 O4)

Compound Name

ethyl 1-[2-({[(4-fluorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}methyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[2-({[(4-fluorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}methyl)-13-oxazole-4-carbonyl]piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c1coc(CN(CCc2c[nH]c3c2cccc3)Cc(cc2)ccc2F)n1)=O)=O

InChI

InChI=1S/C30H33FN4O4/c1-2-38-30(37)23-6-5-14-35(18-23)29(36)27-20-39-28(33-27)19-34(17-21-9-11-24(31)12-10-21)15-13-22-16-32-26-8-4-3-7-25(22)26/h3-4,7-12,16,20,23,32H,2,5-6,13-15,17-19H2,1H3/t23-/m0/s1

InChI Key

LBBHQWZLCZRJSF-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19978601

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

532.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.168

Distribution Coefficient, logD

4.168

Water Solubility, LogSw

-3.95

Polar Surface Area

69.269

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.67

V022-8687 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V022-8687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-8687?
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What is the minimum amount of V022-8687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-8687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-8687
  • 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 V022-8687 available by request