V012-0622 Screening compound: 3-fluoro-N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(3-methylbutyl)benzamide

V012-0622 Screening compound: 3-fluoro-N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(3-methylbutyl)benzamide
V012-0622 Screening compound: 3-fluoro-N-(2-{4-[(2-fluorophenoxy)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 V012-0622
3-fluoro-N-(2-{4-[(2-fluorophenoxy)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

V012-0622

Molecular Formula

C28H30F2N2O3S (C28 H30 F2 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCN(CC(N(CC1)C(COc(cccc2)c2F)c2c1scc2)=O)C(c1cc(F)ccc1)=O

InChI

InChI=1S/C28H30F2N2O3S/c1-19(2)10-13-31(28(34)20-6-5-7-21(29)16-20)17-27(33)32-14-11-26-22(12-15-36-26)24(32)18-35-25-9-4-3-8-23(25)30/h3-9,12,15-16,19,24H,10-11,13-14,17-18H2,1-2H3/t24-/m0/s1

InChI Key

RSUFCWCGCUAKSJ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19866689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.62

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

5.830

Distribution Coefficient, logD

5.830

Water Solubility, LogSw

-5.60

Polar Surface Area

40.351

Acid Dissociation Constant (pKa)

22.36

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

V012-0622 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V012-0622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0622?
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What is the minimum amount of V012-0622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0622
  • 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 V012-0622 available by request