3659-2003 Screening compound: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide

3659-2003 Screening compound: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
3659-2003 Screening compound: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3659-2003
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-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

3659-2003

Molecular Formula

C16H13N3O3S (C16 H13 N3 O3 S)

Compound Name

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

IUPAC name

N-(46-dimethyl-13-benzothiazol-2-yl)-4-nitrobenzamide

SMILES

Cc(cc1C)cc2c1nc(NC(c(cc1)ccc1[N+]([O-])=O)=O)s2

InChI

InChI=1S/C16H13N3O3S/c1-9-7-10(2)14-13(8-9)23-16(17-14)18-15(20)11-3-5-12(6-4-11)19(21)22/h3-8H,1-2H3,(H,17,18,20)

InChI Key

FBJLVWSUYBUPAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01996230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.36

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

4.663

Distribution Coefficient, logD

4.659

Water Solubility, LogSw

-4.48

Polar Surface Area

67.243

Acid Dissociation Constant (pKa)

9.44

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 3659-2003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3659-2003?
Check Price and Availability of 3659-2003, 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 3659-2003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3659-2003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3659-2003
  • 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 3659-2003 available by request