Y040-9396 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-5-phenylthiophene-2-carboxamide

Y040-9396 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-5-phenylthiophene-2-carboxamide
Y040-9396 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-5-phenylthiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9396
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-5-phenylthiophene-2-carboxamide

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

Y040-9396

Molecular Formula

C19H14N2O3S3 (C19 H14 N2 O3 S3)

Compound Name

N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-5-phenylthiophene-2-carboxamide

IUPAC name

N-(6-methanesulfonyl-13-benzothiazol-2-yl)-5-phenylthiophene-2-carboxamide

SMILES

CS(c(cc1)cc2c1nc(NC(c1ccc(-c3ccccc3)s1)=O)s2)(=O)=O

InChI

InChI=1S/C19H14N2O3S3/c1-27(23,24)13-7-8-14-17(11-13)26-19(20-14)21-18(22)16-10-9-15(25-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21,22)

InChI Key

BFEZQTSKTSQYJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13756372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.542

Distribution Coefficient, logD

4.542

Water Solubility, LogSw

-4.37

Polar Surface Area

63.587

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

References: we are preparing a list of scientific research reports with Y040-9396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9396?
Check Price and Availability of Y040-9396, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y040-9396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9396
  • 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 Y040-9396 available by request