8003-4968 Screening compound: 4-[(E)-{2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazin-1-ylidene}methyl]-2-methoxyphenol

8003-4968 Screening compound: 4-[(E)-{2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazin-1-ylidene}methyl]-2-methoxyphenol
8003-4968 Screening compound: 4-[(E)-{2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazin-1-ylidene}methyl]-2-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-4968
4-[(E)-{2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazin-1-ylidene}methyl]-2-methoxyphenol

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

8003-4968

Molecular Formula

C17H14BrN3O2S (C17 H14 BrN3 O2 S)

Compound Name

4-[(E)-{2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazin-1-ylidene}methyl]-2-methoxyphenol

IUPAC name

4-[(E)-{2-[4-(4-bromophenyl)-13-thiazol-2-yl]hydrazin-1-ylidene}methyl]-2-methoxyphenol

SMILES

COc(cc(/C=N/Nc1nc(-c(cc2)ccc2Br)cs1)cc1)c1O

InChI

InChI=1S/C17H14BrN3O2S/c1-23-16-8-11(2-7-15(16)22)9-19-21-17-20-14(10-24-17)12-3-5-13(18)6-4-12/h2-10,22H,1H3,(H,20,21)

InChI Key

BQFWKGVAXVOZST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00744145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.370

Distribution Coefficient, logD

5.367

Water Solubility, LogSw

-5.39

Polar Surface Area

55.329

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

8003-4968 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8003-4968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-4968?
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What is the minimum amount of 8003-4968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-4968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-4968
  • 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 8003-4968 available by request