8012-3532 Screening compound: N~1~-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,3,3,3-tetrafluoro-2-methoxypropanamide

8012-3532 Screening compound: N~1~-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,3,3,3-tetrafluoro-2-methoxypropanamide
8012-3532 Screening compound: N~1~-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,3,3,3-tetrafluoro-2-methoxypropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-3532
N~1~-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,3,3,3-tetrafluoro-2-methoxypropanamide

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

8012-3532

Molecular Formula

C13H12F4N2O2S (C13 H12 F4 N2 O2 S)

Compound Name

N~1~-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,3,3,3-tetrafluoro-2-methoxypropanamide

IUPAC name

N-(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)-2333-tetrafluoro-2-methoxypropanamide

SMILES

COC(C(F)(F)F)(C(Nc(sc1c2CCCC1)c2C#N)=O)F

InChI

InChI=1S/C13H12F4N2O2S/c1-21-12(14,13(15,16)17)11(20)19-10-8(6-18)7-4-2-3-5-9(7)22-10/h2-5H2,1H3,(H,19,20)/t12-/m0/s1

InChI Key

SFDYAXNJXSPGOH-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02934788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.457

Distribution Coefficient, logD

0.758

Water Solubility, LogSw

-4.00

Polar Surface Area

47.004

Acid Dissociation Constant (pKa)

4.70

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.85

References: we are preparing a list of scientific research reports with 8012-3532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-3532?
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What is the minimum amount of 8012-3532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-3532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-3532
  • 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 8012-3532 available by request