D358-0061 Screening compound: N-(4-bromo-2-fluorophenyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

D358-0061 Screening compound: N-(4-bromo-2-fluorophenyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
D358-0061 Screening compound: N-(4-bromo-2-fluorophenyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D358-0061
N-(4-bromo-2-fluorophenyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

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

D358-0061

Molecular Formula

C13H7BrFN3O2S (C13 H7 BrFN3 O2 S)

Compound Name

N-(4-bromo-2-fluorophenyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

IUPAC name

N-(4-bromo-2-fluorophenyl)-5-oxo-5H-[13]thiazolo[32-a]pyrimidine-6-carboxamide

SMILES

O=C(C1=CN=C2SC=CN2C1=O)Nc(ccc(Br)c1)c1F

InChI

InChI=1S/C13H7BrFN3O2S/c14-7-1-2-10(9(15)5-7)17-11(19)8-6-16-13-18(12(8)20)3-4-21-13/h1-6H,(H,17,19)

InChI Key

VPDMTPUUWXJPSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.19

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.008

Distribution Coefficient, logD

-1.913

Water Solubility, LogSw

-2.73

Polar Surface Area

47.836

Acid Dissociation Constant (pKa)

3.48

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D358-0061 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 D358-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D358-0061?
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What is the minimum amount of D358-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D358-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D358-0061
  • 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 D358-0061 available by request