8006-2672 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-({[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)acetate

8006-2672 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-({[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)acetate
8006-2672 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-({[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-2672
2-(4-bromophenyl)-2-oxoethyl 2-({[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]methyl}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

8006-2672

Molecular Formula

C20H17BrN2O4S2 (C20 H17 BrN2 O4 S2)

Compound Name

2-(4-bromophenyl)-2-oxoethyl 2-({[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)acetate

IUPAC name

2-(4-bromophenyl)-2-oxoethyl 2-({[(6-methyl-13-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)acetate

SMILES

Cc(cc1)cc2c1nc(NC(CSCC(OCC(c(cc1)ccc1Br)=O)=O)=O)s2

InChI

InChI=1S/C20H17BrN2O4S2/c1-12-2-7-15-17(8-12)29-20(22-15)23-18(25)10-28-11-19(26)27-9-16(24)13-3-5-14(21)6-4-13/h2-8H,9-11H2,1H3,(H,22,23,25)

InChI Key

LBIRYDZOCOFCRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.4

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

5.058

Distribution Coefficient, logD

5.058

Water Solubility, LogSw

-4.71

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

8006-2672 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8006-2672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-2672?
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What is the minimum amount of 8006-2672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-2672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-2672
  • 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 8006-2672 available by request