1503-0965 Screening compound: 2-nitro-N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)benzamide

1503-0965 Screening compound: 2-nitro-N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)benzamide
1503-0965 Screening compound: 2-nitro-N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1503-0965
2-nitro-N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)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

1503-0965

Molecular Formula

C19H16Cl3N5O3S2 (C19 H16 Cl3 N5 O3 S2)

Compound Name

2-nitro-N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)benzamide

IUPAC name

2-nitro-N-(222-trichloro-1-{[(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)benzamide

SMILES

N#Cc1c(NC(NC(C(Cl)(Cl)Cl)NC(c(cccc2)c2[N+]([O-])=O)=O)=S)sc2c1CCCC2

InChI

InChI=1S/C19H16Cl3N5O3S2/c20-19(21,22)17(24-15(28)11-6-1-3-7-13(11)27(29)30)26-18(31)25-16-12(9-23)10-5-2-4-8-14(10)32-16/h1,3,6-7,17H,2,4-5,8H2,(H,24,28)(H2,25,26,31)/t17-/m0/s1

InChI Key

WBAYJEIDQFMLCK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00548642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.86

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.878

Distribution Coefficient, logD

2.023

Water Solubility, LogSw

-5.21

Polar Surface Area

93.212

Acid Dissociation Constant (pKa)

4.55

Base Dissociation Constant (pKb)

-6.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

1503-0965 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1503-0965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1503-0965?
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What is the minimum amount of 1503-0965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1503-0965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1503-0965
  • 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 1503-0965 available by request