1127-1177 Screening compound: N-(6-acetamido-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide

1127-1177 Screening compound: N-(6-acetamido-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
1127-1177 Screening compound: N-(6-acetamido-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1127-1177
N-(6-acetamido-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

1127-1177

Molecular Formula

C16H11N5O6S (C16 H11 N5 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc(cc1)cc2c1nc(NC(c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1)=O)s2)=O

InChI

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

InChI Key

ITMSXKRAKITXHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00689556

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

3.165

Distribution Coefficient, logD

2.835

Water Solubility, LogSw

-3.51

Polar Surface Area

123.116

Acid Dissociation Constant (pKa)

7.34

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with 1127-1177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1127-1177?
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What is the minimum amount of 1127-1177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1127-1177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1127-1177
  • 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 1127-1177 available by request