8005-9697 Screening compound: 3-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-3-ol

8005-9697 Screening compound: 3-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-3-ol
8005-9697 Screening compound: 3-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-9697
3-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-3-ol

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

8005-9697

Molecular Formula

C11H11BrN2OS (C11 H11 BrN2 OS)

Compound Name

3-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-3-ol

IUPAC name

3-(4-bromophenyl)-2H3H5H6H-imidazo[21-b][13]thiazol-3-ol

SMILES

OC(CS1)(c(cc2)ccc2Br)N2C1=NCC2

InChI

InChI=1S/C11H11BrN2OS/c12-9-3-1-8(2-4-9)11(15)7-16-10-13-5-6-14(10)11/h1-4,15H,5-7H2/t11-/m0/s1

InChI Key

SQUPBCUHSLKNEH-NSHDSACASA-N

MDL Number (MFCD)

MFCD00682278

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

299.19

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.002

Distribution Coefficient, logD

2.796

Water Solubility, LogSw

-2.97

Polar Surface Area

30.052

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

7.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

8005-9697 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Fragments Library (11262 compounds)

Crystallographic and 19F NMR fragment-libraries (624 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8005-9697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-9697?
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What is the minimum amount of 8005-9697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-9697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-9697
  • 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 8005-9697 available by request