4678-0307 Screening compound: (2E)-3-(4-tert-butylphenyl)-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}prop-2-enamide

4678-0307 Screening compound: (2E)-3-(4-tert-butylphenyl)-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}prop-2-enamide
4678-0307 Screening compound: (2E)-3-(4-tert-butylphenyl)-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4678-0307
(2E)-3-(4-tert-butylphenyl)-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}prop-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

4678-0307

Molecular Formula

C22H23N3O3S2 (C22 H23 N3 O3 S2)

Compound Name

(2E)-3-(4-tert-butylphenyl)-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}prop-2-enamide

IUPAC name

(2E)-3-(4-tert-butylphenyl)-N-{4-[(13-thiazol-2-yl)sulfamoyl]phenyl}prop-2-enamide

SMILES

CC(C)(C)c1ccc(/C=C/C(Nc(cc2)ccc2S(Nc2nccs2)(=O)=O)=O)cc1

InChI

InChI=1S/C22H23N3O3S2/c1-22(2,3)17-7-4-16(5-8-17)6-13-20(26)24-18-9-11-19(12-10-18)30(27,28)25-21-23-14-15-29-21/h4-15H,1-3H3,(H,23,25)(H,24,26)

InChI Key

UKEVWAJCTXTIHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02994090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.182

Distribution Coefficient, logD

4.773

Water Solubility, LogSw

-5.06

Polar Surface Area

74.244

Acid Dissociation Constant (pKa)

7.20

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

4678-0307 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4678-0307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4678-0307?
Check Price and Availability of 4678-0307, 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 4678-0307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4678-0307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4678-0307
  • 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 4678-0307 available by request