3156-0183 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-4-methoxy-3-nitrobenzamide

3156-0183 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-4-methoxy-3-nitrobenzamide
3156-0183 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-4-methoxy-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3156-0183
N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-4-methoxy-3-nitrobenzamide

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

3156-0183

Molecular Formula

C21H14ClN3O4S (C21 H14 ClN3 O4 S)

Compound Name

N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-4-methoxy-3-nitrobenzamide

IUPAC name

N-[3-(13-benzothiazol-2-yl)-4-chlorophenyl]-4-methoxy-3-nitrobenzamide

SMILES

COc(ccc(C(Nc(cc1)cc(-c2nc(cccc3)c3s2)c1Cl)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C21H14ClN3O4S/c1-29-18-9-6-12(10-17(18)25(27)28)20(26)23-13-7-8-15(22)14(11-13)21-24-16-4-2-3-5-19(16)30-21/h2-11H,1H3,(H,23,26)

InChI Key

JTDSGEBKZYLAOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.293

Distribution Coefficient, logD

5.284

Water Solubility, LogSw

-5.83

Polar Surface Area

73.490

Acid Dissociation Constant (pKa)

9.08

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

3156-0183 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3156-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3156-0183?
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What is the minimum amount of 3156-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3156-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3156-0183
  • 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 3156-0183 available by request