V012-1797 Screening compound: ethyl 2-(2,5-difluorobenzamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

V012-1797 Screening compound: ethyl 2-(2,5-difluorobenzamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
V012-1797 Screening compound: ethyl 2-(2,5-difluorobenzamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-1797
ethyl 2-(2,5-difluorobenzamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

V012-1797

Molecular Formula

C24H21F2NO3S (C24 H21 F2 NO3 S)

Compound Name

ethyl 2-(2,5-difluorobenzamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-(25-difluorobenzamido)-6-phenyl-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc(cc2)F)c2F)=O)sc(C2)c1CCC2c1ccccc1)=O

InChI

InChI=1S/C24H21F2NO3S/c1-2-30-24(29)21-17-10-8-15(14-6-4-3-5-7-14)12-20(17)31-23(21)27-22(28)18-13-16(25)9-11-19(18)26/h3-7,9,11,13,15H,2,8,10,12H2,1H3,(H,27,28)/t15-/m1/s1

InChI Key

QGTHIGBZZQZEKB-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD19957316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.078

Distribution Coefficient, logD

0.626

Water Solubility, LogSw

-5.54

Polar Surface Area

43.527

Acid Dissociation Constant (pKa)

1.95

Base Dissociation Constant (pKb)

-7.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V012-1797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-1797?
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What is the minimum amount of V012-1797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-1797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-1797
  • 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 V012-1797 available by request