3560-1920 Screening compound: N-(2-acetamido-1,3-benzothiazol-6-yl)-3,5-dinitrobenzamide

3560-1920 Screening compound: N-(2-acetamido-1,3-benzothiazol-6-yl)-3,5-dinitrobenzamide
3560-1920 Screening compound: N-(2-acetamido-1,3-benzothiazol-6-yl)-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3560-1920
N-(2-acetamido-1,3-benzothiazol-6-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

3560-1920

Molecular Formula

C16H11N5O6S (C16 H11 N5 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1nc(ccc(NC(c2cc([N+]([O-])=O)cc([N+]([O-])=O)c2)=O)c2)c2s1)=O

InChI

InChI=1S/C16H11N5O6S/c1-8(22)17-16-19-13-3-2-10(6-14(13)28-16)18-15(23)9-4-11(20(24)25)7-12(5-9)21(26)27/h2-7H,1H3,(H,18,23)(H,17,19,22)

InChI Key

PMPFVACXGZCWCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01988789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.36

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.282

Distribution Coefficient, logD

3.129

Water Solubility, LogSw

-3.63

Polar Surface Area

123.116

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with 3560-1920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3560-1920?
Check Price and Availability of 3560-1920, 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 3560-1920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3560-1920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3560-1920
  • 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 3560-1920 available by request