8008-5070 Screening compound: N~1~-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-{benzyl[(4-methylphenyl)sulfonyl]amino}benzamide

8008-5070 Screening compound: N~1~-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-{benzyl[(4-methylphenyl)sulfonyl]amino}benzamide
8008-5070 Screening compound: N~1~-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-{benzyl[(4-methylphenyl)sulfonyl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5070
N~1~-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-{benzyl[(4-methylphenyl)sulfonyl]amino}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

8008-5070

Molecular Formula

C30H27N3O3S3 (C30 H27 N3 O3 S3)

Compound Name

N~1~-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-{benzyl[(4-methylphenyl)sulfonyl]amino}benzamide

IUPAC name

N-[2-(13-benzothiazol-2-ylsulfanyl)ethyl]-2-(N-benzyl4-methylbenzenesulfonamido)benzamide

SMILES

Cc(cc1)ccc1S(N(Cc1ccccc1)c(cccc1)c1C(NCCSc1nc(cccc2)c2s1)=O)(=O)=O

InChI

InChI=1S/C30H27N3O3S3/c1-22-15-17-24(18-16-22)39(35,36)33(21-23-9-3-2-4-10-23)27-13-7-5-11-25(27)29(34)31-19-20-37-30-32-26-12-6-8-14-28(26)38-30/h2-18H,19-21H2,1H3,(H,31,34)

InChI Key

XNRVLGYAXJWREV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01154376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

573.76

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.873

Distribution Coefficient, logD

6.873

Water Solubility, LogSw

-5.74

Polar Surface Area

64.828

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

References: we are preparing a list of scientific research reports with 8008-5070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5070?
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What is the minimum amount of 8008-5070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5070
  • 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 8008-5070 available by request