2783-5039 Screening compound: 4-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide

2783-5039 Screening compound: 4-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide
2783-5039 Screening compound: 4-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2783-5039
4-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-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

2783-5039

Molecular Formula

C21H14ClN3O3S (C21 H14 ClN3 O3 S)

Compound Name

4-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide

IUPAC name

4-chloro-N-[4-(6-methyl-13-benzothiazol-2-yl)phenyl]-3-nitrobenzamide

SMILES

Cc(cc1)cc2c1nc(-c(cc1)ccc1NC(c(cc1)cc([N+]([O-])=O)c1Cl)=O)s2

InChI

InChI=1S/C21H14ClN3O3S/c1-12-2-9-17-19(10-12)29-21(24-17)13-3-6-15(7-4-13)23-20(26)14-5-8-16(22)18(11-14)25(27)28/h2-11H,1H3,(H,23,26)

InChI Key

RFPVPARZQJMJRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.649

Distribution Coefficient, logD

5.646

Water Solubility, LogSw

-6.00

Polar Surface Area

65.859

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

2783-5039 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 2783-5039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2783-5039?
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What is the minimum amount of 2783-5039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2783-5039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2783-5039
  • 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 2783-5039 available by request