2652-0781 Screening compound: 2-methoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

2652-0781 Screening compound: 2-methoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
2652-0781 Screening compound: 2-methoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2652-0781
2-methoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

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

2652-0781

Molecular Formula

C15H11N3O4S (C15 H11 N3 O4 S)

Compound Name

2-methoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

IUPAC name

2-methoxy-N-(6-nitro-13-benzothiazol-2-yl)benzamide

SMILES

COc(cccc1)c1C(Nc1nc(ccc([N+]([O-])=O)c2)c2s1)=O

InChI

InChI=1S/C15H11N3O4S/c1-22-12-5-3-2-4-10(12)14(19)17-15-16-11-7-6-9(18(20)21)8-13(11)23-15/h2-8H,1H3,(H,16,17,19)

InChI Key

KXDOHPWYTCJZIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00629101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.34

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

3.608

Distribution Coefficient, logD

3.563

Water Solubility, LogSw

-3.97

Polar Surface Area

74.103

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

2652-0781 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 2652-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2652-0781?
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What is the minimum amount of 2652-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2652-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2652-0781
  • 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 2652-0781 available by request