8010-4240 Screening compound: methyl 2-({2-[(3-chlorophenyl)formamido]-1,1,1,3,3,3-hexafluoropropan-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

8010-4240 Screening compound: methyl 2-({2-[(3-chlorophenyl)formamido]-1,1,1,3,3,3-hexafluoropropan-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
8010-4240 Screening compound: methyl 2-({2-[(3-chlorophenyl)formamido]-1,1,1,3,3,3-hexafluoropropan-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4240
methyl 2-({2-[(3-chlorophenyl)formamido]-1,1,1,3,3,3-hexafluoropropan-2-yl}amino)-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

8010-4240

Molecular Formula

C20H17ClF6N2O3S (C20 H17 ClF6 N2 O3 S)

Compound Name

methyl 2-({2-[(3-chlorophenyl)formamido]-1,1,1,3,3,3-hexafluoropropan-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 2-({2-[(3-chlorophenyl)formamido]-111333-hexafluoropropan-2-yl}amino)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

COC(c1c(NC(C(F)(F)F)(C(F)(F)F)NC(c2cccc(Cl)c2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C20H17ClF6N2O3S/c1-32-17(31)14-12-7-2-3-8-13(12)33-16(14)29-18(19(22,23)24,20(25,26)27)28-15(30)10-5-4-6-11(21)9-10/h4-6,9,29H,2-3,7-8H2,1H3,(H,28,30)

InChI Key

DHQXQWYPYHNRLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.014

Distribution Coefficient, logD

0.109

Water Solubility, LogSw

-6.18

Polar Surface Area

54.416

Acid Dissociation Constant (pKa)

1.49

Base Dissociation Constant (pKb)

-10.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 8010-4240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4240?
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What is the minimum amount of 8010-4240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4240
  • 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 8010-4240 available by request