1000-0347 Screening compound: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide

1000-0347 Screening compound: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
1000-0347 Screening compound: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1000-0347
N-(4,6-dimethyl-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

1000-0347

Molecular Formula

C16H12N4O5S (C16 H12 N4 O5 S)

Compound Name

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide

IUPAC name

N-(46-dimethyl-13-benzothiazol-2-yl)-35-dinitrobenzamide

SMILES

Cc(cc1C)cc2c1nc(NC(c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1)=O)s2

InChI

InChI=1S/C16H12N4O5S/c1-8-3-9(2)14-13(4-8)26-16(17-14)18-15(21)10-5-11(19(22)23)7-12(6-10)20(24)25/h3-7H,1-2H3,(H,17,18,21)

InChI Key

PIGQNDFGCRWOGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.36

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

4.702

Distribution Coefficient, logD

4.368

Water Solubility, LogSw

-4.41

Polar Surface Area

100.624

Acid Dissociation Constant (pKa)

7.34

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 1000-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1000-0347?
Check Price and Availability of 1000-0347, 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 1000-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1000-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1000-0347
  • 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 1000-0347 available by request