8016-0708 Screening compound: N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-nitrobenzamide

8016-0708 Screening compound: N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-nitrobenzamide
8016-0708 Screening compound: N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0708
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-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

8016-0708

Molecular Formula

C15H10ClN3O4S (C15 H10 ClN3 O4 S)

Compound Name

N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-nitrobenzamide

IUPAC name

N-(5-chloro-6-methoxy-13-benzothiazol-2-yl)-2-nitrobenzamide

SMILES

COc(cc1sc(NC(c(cccc2)c2[N+]([O-])=O)=O)nc1c1)c1Cl

InChI

InChI=1S/C15H10ClN3O4S/c1-23-12-7-13-10(6-9(12)16)17-15(24-13)18-14(20)8-4-2-3-5-11(8)19(21)22/h2-7H,1H3,(H,17,18,20)

InChI Key

OFECZAOJENRXBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04389427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.78

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.119

Distribution Coefficient, logD

3.368

Water Solubility, LogSw

-4.50

Polar Surface Area

73.802

Acid Dissociation Constant (pKa)

6.73

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8016-0708 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8016-0708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0708?
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What is the minimum amount of 8016-0708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0708
  • 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 8016-0708 available by request