2652-0385 Screening compound: N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide

2652-0385 Screening compound: N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide
2652-0385 Screening compound: N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2652-0385
N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide

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

2652-0385

Molecular Formula

C14H7ClN4O5S (C14 H7 ClN4 O5 S)

Compound Name

N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide

IUPAC name

N-(6-chloro-13-benzothiazol-2-yl)-24-dinitrobenzamide

SMILES

[O-][N+](c(cc1)cc([N+]([O-])=O)c1C(Nc1nc(ccc(Cl)c2)c2s1)=O)=O

InChI

InChI=1S/C14H7ClN4O5S/c15-7-1-4-10-12(5-7)25-14(16-10)17-13(20)9-3-2-8(18(21)22)6-11(9)19(23)24/h1-6H,(H,16,17,20)

InChI Key

BTNBFMCZWKEKAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00586872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.75

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.305

Distribution Coefficient, logD

3.134

Water Solubility, LogSw

-4.71

Polar Surface Area

99.553

Acid Dissociation Constant (pKa)

6.26

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 2652-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2652-0385?
Check Price and Availability of 2652-0385, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2652-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2652-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2652-0385
  • 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 2652-0385 available by request