8290-02877 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-nitrobenzamide

8290-02877 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-nitrobenzamide
8290-02877 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8290-02877
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-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

8290-02877

Molecular Formula

C21H15N3O4S (C21 H15 N3 O4 S)

Compound Name

N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-nitrobenzamide

IUPAC name

N-[5-(13-benzothiazol-2-yl)-2-methoxyphenyl]-4-nitrobenzamide

SMILES

COc(ccc(-c1nc(cccc2)c2s1)c1)c1NC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C21H15N3O4S/c1-28-18-11-8-14(21-23-16-4-2-3-5-19(16)29-21)12-17(18)22-20(25)13-6-9-15(10-7-13)24(26)27/h2-12H,1H3,(H,22,25)

InChI Key

ZRRFMTPCADNIEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08575395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.028

Distribution Coefficient, logD

5.027

Water Solubility, LogSw

-4.83

Polar Surface Area

73.093

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

8290-02877 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8290-02877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8290-02877?
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What is the minimum amount of 8290-02877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8290-02877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8290-02877
  • 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 8290-02877 available by request