Y041-3159 Screening compound: 2-(2,5-dimethyl-1H-pyrrol-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide

Y041-3159 Screening compound: 2-(2,5-dimethyl-1H-pyrrol-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
Y041-3159 Screening compound: 2-(2,5-dimethyl-1H-pyrrol-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3159
2-(2,5-dimethyl-1H-pyrrol-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-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

Y041-3159

Molecular Formula

C18H16N4OS2 (C18 H16 N4 OS2)

Compound Name

2-(2,5-dimethyl-1H-pyrrol-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide

IUPAC name

2-(25-dimethyl-1H-pyrrol-1-yl)-N-(4-methyl-13-thiazol-2-yl)-13-benzothiazole-6-carboxamide

SMILES

Cc1ccc(C)n1-c1nc(ccc(C(Nc2nc(C)cs2)=O)c2)c2s1

InChI

InChI=1S/C18H16N4OS2/c1-10-9-24-17(19-10)21-16(23)13-6-7-14-15(8-13)25-18(20-14)22-11(2)4-5-12(22)3/h4-9H,1-3H3,(H,19,21,23)

InChI Key

QDBXCOAZMWOMLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12199150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.428

Distribution Coefficient, logD

4.278

Water Solubility, LogSw

-4.30

Polar Surface Area

45.607

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

Y041-3159 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y041-3159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3159?
Check Price and Availability of Y041-3159, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y041-3159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3159
  • 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 Y041-3159 available by request