Y041-9737 Screening compound: 4-methyl-2-(1H-pyrrol-1-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide

Y041-9737 Screening compound: 4-methyl-2-(1H-pyrrol-1-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
Y041-9737 Screening compound: 4-methyl-2-(1H-pyrrol-1-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-9737
4-methyl-2-(1H-pyrrol-1-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-5-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

Y041-9737

Molecular Formula

C16H19N5OS (C16 H19 N5 OS)

Compound Name

4-methyl-2-(1H-pyrrol-1-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide

IUPAC name

4-methyl-2-(1H-pyrrol-1-yl)-N-[(135-trimethyl-1H-pyrazol-4-yl)methyl]-13-thiazole-5-carboxamide

SMILES

Cc1c(CNC(c2c(C)nc(-n3cccc3)s2)=O)c(C)nn1C

InChI

InChI=1S/C16H19N5OS/c1-10-13(12(3)20(4)19-10)9-17-15(22)14-11(2)18-16(23-14)21-7-5-6-8-21/h5-8H,9H2,1-4H3,(H,17,22)

InChI Key

KIBXMKOQZRZGQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22202132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.260

Distribution Coefficient, logD

2.255

Water Solubility, LogSw

-2.38

Polar Surface Area

53.874

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

Y041-9737 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 Y041-9737 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-9737?
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What is the minimum amount of Y041-9737 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-9737
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-9737
  • 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 Y041-9737 available by request