V009-1944 Screening compound: N~2~-[4-(2-anilino-2-oxoethyl)phenyl]-N~2~-(2-methylbenzyl)-2-thiophenecarboxamide

V009-1944 Screening compound: N~2~-[4-(2-anilino-2-oxoethyl)phenyl]-N~2~-(2-methylbenzyl)-2-thiophenecarboxamide
V009-1944 Screening compound: N~2~-[4-(2-anilino-2-oxoethyl)phenyl]-N~2~-(2-methylbenzyl)-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-1944
N~2~-[4-(2-anilino-2-oxoethyl)phenyl]-N~2~-(2-methylbenzyl)-2-thiophenecarboxamide

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

V009-1944

Molecular Formula

C27H24N2O2S (C27 H24 N2 O2 S)

Compound Name

N~2~-[4-(2-anilino-2-oxoethyl)phenyl]-N~2~-(2-methylbenzyl)-2-thiophenecarboxamide

IUPAC name

N-[(2-methylphenyl)methyl]-N-{4-[(phenylcarbamoyl)methyl]phenyl}thiophene-2-carboxamide

SMILES

Cc1c(CN(C(c2cccs2)=O)c2ccc(CC(Nc3ccccc3)=O)cc2)cccc1

InChI

InChI=1S/C27H24N2O2S/c1-20-8-5-6-9-22(20)19-29(27(31)25-12-7-17-32-25)24-15-13-21(14-16-24)18-26(30)28-23-10-3-2-4-11-23/h2-17H,18-19H2,1H3,(H,28,30)

InChI Key

ROPPPXQAWRNFSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19903179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.849

Distribution Coefficient, logD

5.849

Water Solubility, LogSw

-5.46

Polar Surface Area

39.486

Acid Dissociation Constant (pKa)

12.10

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

V009-1944 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V009-1944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-1944?
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What is the minimum amount of V009-1944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-1944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-1944
  • 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 V009-1944 available by request