Y031-6647 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-thienylcarbonyl)-2-thiophenecarboxamide

Y031-6647 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-thienylcarbonyl)-2-thiophenecarboxamide
Y031-6647 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-thienylcarbonyl)-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6647
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-thienylcarbonyl)-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

Y031-6647

Molecular Formula

C17H9ClF3NO2S2 (C17 H9 ClF3 NO2 S2)

Compound Name

N-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-thienylcarbonyl)-2-thiophenecarboxamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-N-(thiophene-2-carbonyl)thiophene-2-carboxamide

SMILES

O=C(c1cccs1)N(C(c1cccs1)=O)c(cc(C(F)(F)F)cc1)c1Cl

InChI

InChI=1S/C17H9ClF3NO2S2/c18-11-6-5-10(17(19,20)21)9-12(11)22(15(23)13-3-1-7-25-13)16(24)14-4-2-8-26-14/h1-9H

InChI Key

SSJJCGKMWDFDSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01655297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.947

Distribution Coefficient, logD

4.947

Water Solubility, LogSw

-5.32

Polar Surface Area

30.041

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-5.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.88

References: we are preparing a list of scientific research reports with Y031-6647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6647?
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What is the minimum amount of Y031-6647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6647
  • 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 Y031-6647 available by request