8009-7244 Screening compound: N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-methylbenzamide

8009-7244 Screening compound: N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-methylbenzamide
8009-7244 Screening compound: N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7244
N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-methylbenzamide

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

8009-7244

Molecular Formula

C23H19N3O4S2 (C23 H19 N3 O4 S2)

Compound Name

N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-methylbenzamide

IUPAC name

N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-13-benzothiazol-6-yl)-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(Nc(cc1)cc2c1nc(SCc(cc(cc1)[N+]([O-])=O)c1OC)s2)=O

InChI

InChI=1S/C23H19N3O4S2/c1-14-3-5-15(6-4-14)22(27)24-17-7-9-19-21(12-17)32-23(25-19)31-13-16-11-18(26(28)29)8-10-20(16)30-2/h3-12H,13H2,1-2H3,(H,24,27)

InChI Key

OFAIJVGVJMJPQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01626385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.092

Distribution Coefficient, logD

6.092

Water Solubility, LogSw

-5.42

Polar Surface Area

73.151

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

8009-7244 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8009-7244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7244?
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What is the minimum amount of 8009-7244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7244
  • 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 8009-7244 available by request