Y042-4949 Screening compound: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

Y042-4949 Screening compound: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Y042-4949 Screening compound: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-4949
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-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

Y042-4949

Molecular Formula

C16H11N5O2S2 (C16 H11 N5 O2 S2)

Compound Name

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

IUPAC name

N-(5-benzyl-134-thiadiazol-2-yl)-5-oxo-5H-[13]thiazolo[32-a]pyrimidine-6-carboxamide

SMILES

O=C(C1=CN=C2SC=CN2C1=O)Nc1nnc(Cc2ccccc2)s1

InChI

InChI=1S/C16H11N5O2S2/c22-13(11-9-17-16-21(14(11)23)6-7-24-16)18-15-20-19-12(25-15)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,18,20,22)

InChI Key

OCWGNIZMBODNNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD17649356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.845

Distribution Coefficient, logD

-2.213

Water Solubility, LogSw

-2.26

Polar Surface Area

72.302

Acid Dissociation Constant (pKa)

3.34

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

Y042-4949 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y042-4949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-4949?
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What is the minimum amount of Y042-4949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-4949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-4949
  • 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 Y042-4949 available by request