8009-7245 Screening compound: 2-chloro-N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

8009-7245 Screening compound: 2-chloro-N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
8009-7245 Screening compound: 2-chloro-N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7245
2-chloro-N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-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

8009-7245

Molecular Formula

C22H16ClN3O4S2 (C22 H16 ClN3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)c(CSc2nc(ccc(NC(c(cccc3)c3Cl)=O)c3)c3s2)cc1[N+]([O-])=O

InChI

InChI=1S/C22H16ClN3O4S2/c1-30-19-9-7-15(26(28)29)10-13(19)12-31-22-25-18-8-6-14(11-20(18)32-22)24-21(27)16-4-2-3-5-17(16)23/h2-11H,12H2,1H3,(H,24,27)

InChI Key

WDRFAKFMSCNBLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01626389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.97

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

6.124

Distribution Coefficient, logD

6.119

Water Solubility, LogSw

-5.93

Polar Surface Area

73.151

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 8009-7245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7245?
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What is the minimum amount of 8009-7245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7245
  • 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 8009-7245 available by request