0156-0590 Screening compound: N-(4-methoxy-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide

0156-0590 Screening compound: N-(4-methoxy-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide
0156-0590 Screening compound: N-(4-methoxy-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0156-0590
N-(4-methoxy-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

0156-0590

Molecular Formula

C15H10N4O6S (C15 H10 N4 O6 S)

Compound Name

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

IUPAC name

N-(4-methoxy-13-benzothiazol-2-yl)-24-dinitrobenzamide

SMILES

COc1cccc2c1nc(NC(c(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O)=O)s2

InChI

InChI=1S/C15H10N4O6S/c1-25-11-3-2-4-12-13(11)16-15(26-12)17-14(20)9-6-5-8(18(21)22)7-10(9)19(23)24/h2-7H,1H3,(H,16,17,20)

InChI Key

QXBVPDQLKLIYRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00985159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.33

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.549

Distribution Coefficient, logD

3.319

Water Solubility, LogSw

-3.96

Polar Surface Area

107.954

Acid Dissociation Constant (pKa)

7.56

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with 0156-0590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0156-0590?
Check Price and Availability of 0156-0590, 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 0156-0590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0156-0590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0156-0590
  • 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 0156-0590 available by request