V022-9787 Screening compound: N-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-methyl-N-[(oxolan-2-yl)methyl]butanamide

V022-9787 Screening compound: N-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-methyl-N-[(oxolan-2-yl)methyl]butanamide
V022-9787 Screening compound: N-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-methyl-N-[(oxolan-2-yl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-9787
N-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-methyl-N-[(oxolan-2-yl)methyl]butanamide

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

V022-9787

Molecular Formula

C26H33FN2O4S (C26 H33 FN2 O4 S)

Compound Name

N-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-methyl-N-[(oxolan-2-yl)methyl]butanamide

IUPAC name

N-(2-{4-[(3-fluorophenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-3-methyl-N-[(oxolan-2-yl)methyl]butanamide

SMILES

CC(C)CC(N(CC1OCCC1)CC(N(CC1)C(COc2cc(F)ccc2)c2c1scc2)=O)=O

InChI

InChI=1S/C26H33FN2O4S/c1-18(2)13-25(30)28(15-21-7-4-11-32-21)16-26(31)29-10-8-24-22(9-12-34-24)23(29)17-33-20-6-3-5-19(27)14-20/h3,5-6,9,12,14,18,21,23H,4,7-8,10-11,13,15-17H2,1-2H3

InChI Key

RUJSHJUSDLMQQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19866843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.155

Distribution Coefficient, logD

4.155

Water Solubility, LogSw

-4.20

Polar Surface Area

48.413

Acid Dissociation Constant (pKa)

24.23

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.80

V022-9787 in Drug Discovery

Included in Screening Libraries

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 V022-9787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-9787?
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What is the minimum amount of V022-9787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-9787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-9787
  • 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 V022-9787 available by request