8013-3538 Screening compound: N~1~-(4-bromophenyl)-2-(3-oxo-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide

8013-3538 Screening compound: N~1~-(4-bromophenyl)-2-(3-oxo-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide
8013-3538 Screening compound: N~1~-(4-bromophenyl)-2-(3-oxo-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3538
N~1~-(4-bromophenyl)-2-(3-oxo-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide

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

8013-3538

Molecular Formula

C13H12BrN3O2S (C13 H12 BrN3 O2 S)

Compound Name

N~1~-(4-bromophenyl)-2-(3-oxo-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide

IUPAC name

N-(4-bromophenyl)-2-{3-oxo-2H3H5H6H-imidazo[21-b][13]thiazol-2-yl}acetamide

SMILES

O=C(CC1SC2=NCCN2C1=O)Nc(cc1)ccc1Br

InChI

InChI=1S/C13H12BrN3O2S/c14-8-1-3-9(4-2-8)16-11(18)7-10-12(19)17-6-5-15-13(17)20-10/h1-4,10H,5-7H2,(H,16,18)/t10-/m0/s1

InChI Key

ZWIWEKYGJZRHHP-JTQLQIEISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.290

Distribution Coefficient, logD

2.289

Water Solubility, LogSw

-2.95

Polar Surface Area

50.096

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.77

8013-3538 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-3538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3538?
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What is the minimum amount of 8013-3538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3538
  • 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 8013-3538 available by request