1501-1012 Screening compound: 2-chloro-N~1~-((Z)-1-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-2-phenyl-1-ethenyl)benzamide

1501-1012 Screening compound: 2-chloro-N~1~-((Z)-1-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-2-phenyl-1-ethenyl)benzamide
1501-1012 Screening compound: 2-chloro-N~1~-((Z)-1-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-2-phenyl-1-ethenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1501-1012
2-chloro-N~1~-((Z)-1-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-2-phenyl-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

1501-1012

Molecular Formula

C20H19ClN2O4S (C20 H19 ClN2 O4 S)

Compound Name

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

IUPAC name

(2Z)-2-[(2-chlorophenyl)formamido]-N-(11-dioxo-1lambda6-thiolan-3-yl)-3-phenylprop-2-enamide

SMILES

O=C(/C(/NC(c(cccc1)c1Cl)=O)=C/c1ccccc1)NC(CC1)CS1(=O)=O

InChI

InChI=1S/C20H19ClN2O4S/c21-17-9-5-4-8-16(17)19(24)23-18(12-14-6-2-1-3-7-14)20(25)22-15-10-11-28(26,27)13-15/h1-9,12,15H,10-11,13H2,(H,22,25)(H,23,24)/t15-/m0/s1

InChI Key

IJOMDSWOWLJFPN-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00790473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.033

Distribution Coefficient, logD

0.105

Water Solubility, LogSw

-3.12

Polar Surface Area

74.739

Acid Dissociation Constant (pKa)

5.48

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

1501-1012 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 1501-1012 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1501-1012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1501-1012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1501-1012
  • 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 1501-1012 available by request