E157-8431 Screening compound: (2E)-N-{5-[(4-chlorophenyl)(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}-3-phenylprop-2-enamide

E157-8431 Screening compound: (2E)-N-{5-[(4-chlorophenyl)(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}-3-phenylprop-2-enamide
E157-8431 Screening compound: (2E)-N-{5-[(4-chlorophenyl)(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-8431
(2E)-N-{5-[(4-chlorophenyl)(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}-3-phenylprop-2-enamide

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

E157-8431

Molecular Formula

C18H15ClN4O3S2 (C18 H15 ClN4 O3 S2)

Compound Name

(2E)-N-{5-[(4-chlorophenyl)(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}-3-phenylprop-2-enamide

IUPAC name

(2E)-N-{5-[(4-chlorophenyl)(methyl)sulfamoyl]-134-thiadiazol-2-yl}-3-phenylprop-2-enamide

SMILES

CN(c(cc1)ccc1Cl)S(c1nnc(NC(/C=C/c2ccccc2)=O)s1)(=O)=O

InChI

InChI=1S/C18H15ClN4O3S2/c1-23(15-10-8-14(19)9-11-15)28(25,26)18-22-21-17(27-18)20-16(24)12-7-13-5-3-2-4-6-13/h2-12H,1H3,(H,20,21,24)

InChI Key

IVEGUZXTYRTUOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.911

Distribution Coefficient, logD

4.655

Water Solubility, LogSw

-5.05

Polar Surface Area

79.257

Acid Dissociation Constant (pKa)

7.50

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

E157-8431 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with E157-8431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-8431?
Check Price and Availability of E157-8431, 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 E157-8431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-8431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-8431
  • 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 E157-8431 available by request