Y041-3158 Screening compound: N-(4-acetylphenyl)-2-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide

Y041-3158 Screening compound: N-(4-acetylphenyl)-2-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Y041-3158 Screening compound: N-(4-acetylphenyl)-2-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3158
N-(4-acetylphenyl)-2-(2,5-dimethyl-1H-pyrrol-1-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

Y041-3158

Molecular Formula

C22H19N3O2S (C22 H19 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(c(cc1)ccc1NC(c(cc1)cc2c1nc(-n1c(C)ccc1C)s2)=O)=O

InChI

InChI=1S/C22H19N3O2S/c1-13-4-5-14(2)25(13)22-24-19-11-8-17(12-20(19)28-22)21(27)23-18-9-6-16(7-10-18)15(3)26/h4-12H,1-3H3,(H,23,27)

InChI Key

HATZITRYJXNABV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12202256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.311

Distribution Coefficient, logD

4.305

Water Solubility, LogSw

-4.30

Polar Surface Area

49.581

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

Y041-3158 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y041-3158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3158?
Check Price and Availability of Y041-3158, 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 Y041-3158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3158
  • 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 Y041-3158 available by request