V023-8998 Screening compound: N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(3-methylbutyl)benzamide

V023-8998 Screening compound: N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(3-methylbutyl)benzamide
V023-8998 Screening compound: N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(3-methylbutyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-8998
N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(3-methylbutyl)benzamide

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

V023-8998

Molecular Formula

C29H33ClN2O3S (C29 H33 ClN2 O3 S)

Compound Name

N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(3-methylbutyl)benzamide

IUPAC name

N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-N-(3-methylbutyl)benzamide

SMILES

CC(C)CCN(CC(N(CC1)C(COc(cc2)cc(C)c2Cl)c2c1scc2)=O)C(c1ccccc1)=O

InChI

InChI=1S/C29H33ClN2O3S/c1-20(2)11-14-31(29(34)22-7-5-4-6-8-22)18-28(33)32-15-12-27-24(13-16-36-27)26(32)19-35-23-9-10-25(30)21(3)17-23/h4-10,13,16-17,20,26H,11-12,14-15,18-19H2,1-3H3/t26-/m0/s1

InChI Key

WDXQRFJVQIGTLU-SANMLTNESA-N

MDL Number (MFCD)

MFCD19865131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.11

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.763

Distribution Coefficient, logD

6.763

Water Solubility, LogSw

-6.31

Polar Surface Area

40.265

Acid Dissociation Constant (pKa)

22.75

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.90

V023-8998 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V023-8998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-8998?
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What is the minimum amount of V023-8998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-8998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-8998
  • 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 V023-8998 available by request