Y200-4149 Screening compound: methyl 2-(benzoylamino)-5-[(2,4-dimethylanilino)carbonyl]-4-methyl-3-thiophenecarboxylate

Y200-4149 Screening compound: methyl 2-(benzoylamino)-5-[(2,4-dimethylanilino)carbonyl]-4-methyl-3-thiophenecarboxylate
Y200-4149 Screening compound: methyl 2-(benzoylamino)-5-[(2,4-dimethylanilino)carbonyl]-4-methyl-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-4149
methyl 2-(benzoylamino)-5-[(2,4-dimethylanilino)carbonyl]-4-methyl-3-thiophenecarboxylate

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

Y200-4149

Molecular Formula

C23H22N2O4S (C23 H22 N2 O4 S)

Compound Name

methyl 2-(benzoylamino)-5-[(2,4-dimethylanilino)carbonyl]-4-methyl-3-thiophenecarboxylate

IUPAC name

methyl 2-benzamido-5-[(24-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

SMILES

Cc1c(C(Nc2c(C)cc(C)cc2)=O)sc(NC(c2ccccc2)=O)c1C(OC)=O

InChI

InChI=1S/C23H22N2O4S/c1-13-10-11-17(14(2)12-13)24-21(27)19-15(3)18(23(28)29-4)22(30-19)25-20(26)16-8-6-5-7-9-16/h5-12H,1-4H3,(H,24,27)(H,25,26)

InChI Key

IKBCDDVTRAETEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02372155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.443

Distribution Coefficient, logD

0.042

Water Solubility, LogSw

-4.42

Polar Surface Area

66.691

Acid Dissociation Constant (pKa)

3.00

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.39

Y200-4149 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y200-4149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-4149?
Check Price and Availability of Y200-4149, 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 Y200-4149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-4149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-4149
  • 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 Y200-4149 available by request