V022-0629 Screening compound: 2-fluoro-N-(3-methylbutyl)-N-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide

V022-0629 Screening compound: 2-fluoro-N-(3-methylbutyl)-N-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide
V022-0629 Screening compound: 2-fluoro-N-(3-methylbutyl)-N-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-0629
2-fluoro-N-(3-methylbutyl)-N-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]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

V022-0629

Molecular Formula

C31H37FN2O3S (C31 H37 FN2 O3 S)

Compound Name

2-fluoro-N-(3-methylbutyl)-N-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide

IUPAC name

2-fluoro-N-(3-methylbutyl)-N-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H5H6H7H-thieno[32-c]pyridin-5-yl)ethyl]benzamide

SMILES

CC(C)CCN(CC(N(CC1)C(COc2ccc(C(C)C)cc2)c2c1scc2)=O)C(c(cccc1)c1F)=O

InChI

InChI=1S/C31H37FN2O3S/c1-21(2)13-16-33(31(36)25-7-5-6-8-27(25)32)19-30(35)34-17-14-29-26(15-18-38-29)28(34)20-37-24-11-9-23(10-12-24)22(3)4/h5-12,15,18,21-22,28H,13-14,16-17,19-20H2,1-4H3/t28-/m0/s1

InChI Key

ULZROKZBYVDHPG-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD19865559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.71

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.063

Distribution Coefficient, logD

7.063

Water Solubility, LogSw

-5.80

Polar Surface Area

40.265

Acid Dissociation Constant (pKa)

22.52

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.90

V022-0629 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V022-0629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-0629?
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What is the minimum amount of V022-0629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-0629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-0629
  • 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 V022-0629 available by request