8006-2673 Screening compound: methyl 2-[2-({2-[2-(4-bromophenyl)-2-oxoethoxy]-2-oxoethyl}sulfanyl)acetamido]-1,3-benzothiazole-6-carboxylate

8006-2673 Screening compound: methyl 2-[2-({2-[2-(4-bromophenyl)-2-oxoethoxy]-2-oxoethyl}sulfanyl)acetamido]-1,3-benzothiazole-6-carboxylate
8006-2673 Screening compound: methyl 2-[2-({2-[2-(4-bromophenyl)-2-oxoethoxy]-2-oxoethyl}sulfanyl)acetamido]-1,3-benzothiazole-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-2673
methyl 2-[2-({2-[2-(4-bromophenyl)-2-oxoethoxy]-2-oxoethyl}sulfanyl)acetamido]-1,3-benzothiazole-6-carboxylate

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

8006-2673

Molecular Formula

C21H17BrN2O6S2 (C21 H17 BrN2 O6 S2)

Compound Name

methyl 2-[2-({2-[2-(4-bromophenyl)-2-oxoethoxy]-2-oxoethyl}sulfanyl)acetamido]-1,3-benzothiazole-6-carboxylate

IUPAC name

methyl 2-[2-({2-[2-(4-bromophenyl)-2-oxoethoxy]-2-oxoethyl}sulfanyl)acetamido]-13-benzothiazole-6-carboxylate

SMILES

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

InChI

InChI=1S/C21H17BrN2O6S2/c1-29-20(28)13-4-7-15-17(8-13)32-21(23-15)24-18(26)10-31-11-19(27)30-9-16(25)12-2-5-14(22)6-3-12/h2-8H,9-11H2,1H3,(H,23,24,26)

InChI Key

ZXLSVQBXTCKCHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.41

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.755

Distribution Coefficient, logD

4.755

Water Solubility, LogSw

-4.66

Polar Surface Area

87.833

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

8006-2673 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-2673 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-2673?
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What is the minimum amount of 8006-2673 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-2673
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-2673
  • 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 8006-2673 available by request