V028-4962 Screening compound: N-(butan-2-yl)-N-(2-{4-[(4-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)propanamide

V028-4962 Screening compound: N-(butan-2-yl)-N-(2-{4-[(4-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)propanamide
V028-4962 Screening compound: N-(butan-2-yl)-N-(2-{4-[(4-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-4962
N-(butan-2-yl)-N-(2-{4-[(4-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)propanamide

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

V028-4962

Molecular Formula

C23H29FN2O3S (C23 H29 FN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)N(CC(N(CC1)C(COc(cc2)ccc2F)c2c1scc2)=O)C(CC)=O

InChI

InChI=1S/C23H29FN2O3S/c1-4-16(3)26(22(27)5-2)14-23(28)25-12-10-21-19(11-13-30-21)20(25)15-29-18-8-6-17(24)7-9-18/h6-9,11,13,16,20H,4-5,10,12,14-15H2,1-3H3

InChI Key

PULHDVJFTYQTRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19866998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.511

Distribution Coefficient, logD

4.511

Water Solubility, LogSw

-4.13

Polar Surface Area

39.359

Acid Dissociation Constant (pKa)

24.10

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.80

V028-4962 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V028-4962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-4962?
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What is the minimum amount of V028-4962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-4962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-4962
  • 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 V028-4962 available by request