Y040-4794 Screening compound: N~4~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide

Y040-4794 Screening compound: N~4~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide
Y040-4794 Screening compound: N~4~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4794
N~4~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-5-methyl-2-(3,4,5-trimethoxyphenyl)-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

Y040-4794

Molecular Formula

C18H20N2O6S2 (C18 H20 N2 O6 S2)

Compound Name

N~4~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide

IUPAC name

N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-5-methyl-2-(345-trimethoxyphenyl)-13-thiazole-4-carboxamide

SMILES

Cc1c(C(NC(C2)C=CS2(=O)=O)=O)nc(-c(cc2OC)cc(OC)c2OC)s1

InChI

InChI=1S/C18H20N2O6S2/c1-10-15(17(21)19-12-5-6-28(22,23)9-12)20-18(27-10)11-7-13(24-2)16(26-4)14(8-11)25-3/h5-8,12H,9H2,1-4H3,(H,19,21)/t12-/m0/s1

InChI Key

YESTWNJAMWCFSI-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD10042098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.831

Distribution Coefficient, logD

1.831

Water Solubility, LogSw

-2.39

Polar Surface Area

86.296

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

Y040-4794 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-4794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4794?
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What is the minimum amount of Y040-4794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4794
  • 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 Y040-4794 available by request