6466-0936 Screening compound: propan-2-yl 2-(2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

6466-0936 Screening compound: propan-2-yl 2-(2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
6466-0936 Screening compound: propan-2-yl 2-(2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0936
propan-2-yl 2-(2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-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

6466-0936

Molecular Formula

C23H22F3N3O4S2 (C23 H22 F3 N3 O4 S2)

Compound Name

propan-2-yl 2-(2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

propan-2-yl 2-(2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CC(C)OC(c1c(NC(CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C23H22F3N3O4S2/c1-12(2)33-21(31)19-13-6-3-4-8-16(13)35-20(19)29-18(30)11-34-22-27-14(15-7-5-9-32-15)10-17(28-22)23(24,25)26/h5,7,9-10,12H,3-4,6,8,11H2,1-2H3,(H,29,30)

InChI Key

POJGNGYAQKQJGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02737414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.817

Distribution Coefficient, logD

3.793

Water Solubility, LogSw

-5.43

Polar Surface Area

68.864

Acid Dissociation Constant (pKa)

5.38

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with 6466-0936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0936?
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What is the minimum amount of 6466-0936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0936
  • 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 6466-0936 available by request