Y041-8449 Screening compound: 2-(cyclopropylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

Y041-8449 Screening compound: 2-(cyclopropylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
Y041-8449 Screening compound: 2-(cyclopropylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8449
2-(cyclopropylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-thiazole-4-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

Y041-8449

Molecular Formula

C12H14N4OS2 (C12 H14 N4 OS2)

Compound Name

2-(cyclopropylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

IUPAC name

2-(cyclopropylamino)-N-(45-dimethyl-13-thiazol-2-yl)-13-thiazole-4-carboxamide

SMILES

Cc1c(C)sc(NC(c2csc(NC3CC3)n2)=O)n1

InChI

InChI=1S/C12H14N4OS2/c1-6-7(2)19-12(13-6)16-10(17)9-5-18-11(15-9)14-8-3-4-8/h5,8H,3-4H2,1-2H3,(H,14,15)(H,13,16,17)

InChI Key

OLJLFNRXOQPOMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16627746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.215

Distribution Coefficient, logD

3.107

Water Solubility, LogSw

-3.42

Polar Surface Area

54.290

Acid Dissociation Constant (pKa)

7.95

Base Dissociation Constant (pKb)

1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

Y041-8449 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-8449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8449?
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What is the minimum amount of Y041-8449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8449
  • 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 Y041-8449 available by request