0591-5647 Screening compound: N-(1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide

0591-5647 Screening compound: N-(1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide
0591-5647 Screening compound: N-(1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0591-5647
N-(1,3-benzothiazol-2-yl)-4-methyl-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

0591-5647

Molecular Formula

C15H11N3O3S (C15 H11 N3 O3 S)

Compound Name

N-(1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide

IUPAC name

N-(13-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide

SMILES

Cc(ccc(C(Nc1nc(cccc2)c2s1)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C15H11N3O3S/c1-9-6-7-10(8-12(9)18(20)21)14(19)17-15-16-11-4-2-3-5-13(11)22-15/h2-8H,1H3,(H,16,17,19)

InChI Key

STKKMNFIZQOHLQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.238

Distribution Coefficient, logD

4.211

Water Solubility, LogSw

-4.40

Polar Surface Area

66.172

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with 0591-5647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0591-5647?
Check Price and Availability of 0591-5647, 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 0591-5647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0591-5647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0591-5647
  • 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 0591-5647 available by request