Y041-8644 Screening compound: 2-methyl-5-(propan-2-yl)-N-[(pyridin-3-yl)methyl]-1,3-thiazole-4-carboxamide

Y041-8644 Screening compound: 2-methyl-5-(propan-2-yl)-N-[(pyridin-3-yl)methyl]-1,3-thiazole-4-carboxamide
Y041-8644 Screening compound: 2-methyl-5-(propan-2-yl)-N-[(pyridin-3-yl)methyl]-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8644
2-methyl-5-(propan-2-yl)-N-[(pyridin-3-yl)methyl]-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

Y041-8644

Molecular Formula

C14H17N3OS (C14 H17 N3 OS)

Compound Name

2-methyl-5-(propan-2-yl)-N-[(pyridin-3-yl)methyl]-1,3-thiazole-4-carboxamide

IUPAC name

2-methyl-5-(propan-2-yl)-N-[(pyridin-3-yl)methyl]-13-thiazole-4-carboxamide

SMILES

CC(C)c1c(C(NCc2cnccc2)=O)nc(C)s1

InChI

InChI=1S/C14H17N3OS/c1-9(2)13-12(17-10(3)19-13)14(18)16-8-11-5-4-6-15-7-11/h4-7,9H,8H2,1-3H3,(H,16,18)

InChI Key

QCWXKFULUHAXOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20537374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.235

Distribution Coefficient, logD

2.235

Water Solubility, LogSw

-2.07

Polar Surface Area

44.752

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.71

Y041-8644 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y041-8644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8644?
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What is the minimum amount of Y041-8644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8644
  • 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 Y041-8644 available by request