8006-2674 Screening compound: 2-oxo-2-phenylethyl 2-({2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl}sulfanyl)acetate

8006-2674 Screening compound: 2-oxo-2-phenylethyl 2-({2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl}sulfanyl)acetate
8006-2674 Screening compound: 2-oxo-2-phenylethyl 2-({2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-2674
2-oxo-2-phenylethyl 2-({2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl}sulfanyl)acetate

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

8006-2674

Molecular Formula

C20H18N2O4S2 (C20 H18 N2 O4 S2)

Compound Name

2-oxo-2-phenylethyl 2-({2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl}sulfanyl)acetate

IUPAC name

2-oxo-2-phenylethyl 2-({[(6-methyl-13-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)acetate

SMILES

Cc(cc1)cc2c1nc(NC(CSCC(OCC(c1ccccc1)=O)=O)=O)s2

InChI

InChI=1S/C20H18N2O4S2/c1-13-7-8-15-17(9-13)28-20(21-15)22-18(24)11-27-12-19(25)26-10-16(23)14-5-3-2-4-6-14/h2-9H,10-12H2,1H3,(H,21,22,24)

InChI Key

OBXJBYRBSPQDSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.119

Distribution Coefficient, logD

4.119

Water Solubility, LogSw

-4.23

Polar Surface Area

66.659

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8006-2674 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-2674 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-2674?
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What is the minimum amount of 8006-2674 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-2674
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-2674
  • 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 8006-2674 available by request