1497-1126 Screening compound: N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide

1497-1126 Screening compound: N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
1497-1126 Screening compound: N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1497-1126
N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-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

1497-1126

Molecular Formula

C14H7BrN4O5S (C14 H7 BrN4 O5 S)

Compound Name

N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide

IUPAC name

N-(6-bromo-13-benzothiazol-2-yl)-35-dinitrobenzamide

SMILES

[O-][N+](c1cc(C(Nc2nc(ccc(Br)c3)c3s2)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C14H7BrN4O5S/c15-8-1-2-11-12(5-8)25-14(16-11)17-13(20)7-3-9(18(21)22)6-10(4-7)19(23)24/h1-6H,(H,16,17,20)

InChI Key

ZWXAIOSMWVJCPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00857347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.2

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

4.581

Distribution Coefficient, logD

4.346

Water Solubility, LogSw

-4.56

Polar Surface Area

99.854

Acid Dissociation Constant (pKa)

7.54

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 1497-1126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1497-1126?
Check Price and Availability of 1497-1126, 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 1497-1126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1497-1126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1497-1126
  • 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 1497-1126 available by request