4428-0232 Screening compound: N~1~-{(Z)-1-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-2-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]-1-ethenyl}benzamide

4428-0232 Screening compound: N~1~-{(Z)-1-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-2-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]-1-ethenyl}benzamide
4428-0232 Screening compound: N~1~-{(Z)-1-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-2-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]-1-ethenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4428-0232
N~1~-{(Z)-1-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-2-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]-1-ethenyl}benzamide

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

4428-0232

Molecular Formula

C27H24N4O4S2 (C27 H24 N4 O4 S2)

Compound Name

N~1~-{(Z)-1-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-2-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]-1-ethenyl}benzamide

IUPAC name

(2Z)-N-(11-dioxo-1lambda6-thiolan-3-yl)-3-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]-2-(phenylformamido)prop-2-enamide

SMILES

O=C(/C(/NC(c1ccccc1)=O)=C/c1cn(-c2ccccc2)nc1-c1cccs1)NC(CC1)CS1(=O)=O

InChI

InChI=1S/C27H24N4O4S2/c32-26(19-8-3-1-4-9-19)29-23(27(33)28-21-13-15-37(34,35)18-21)16-20-17-31(22-10-5-2-6-11-22)30-25(20)24-12-7-14-36-24/h1-12,14,16-17,21H,13,15,18H2,(H,28,33)(H,29,32)/t21-/m1/s1

InChI Key

QQRXRTMTEJSDPN-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03283923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.964

Distribution Coefficient, logD

2.145

Water Solubility, LogSw

-3.53

Polar Surface Area

90.390

Acid Dissociation Constant (pKa)

6.65

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

4428-0232 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4428-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4428-0232?
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What is the minimum amount of 4428-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4428-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4428-0232
  • 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 4428-0232 available by request