Y205-8113 Screening compound: 4-({3-[(3-chloroanilino)carbonyl]-4-ethyl-5-methyl-2-thienyl}amino)-4-oxobutanoic acid

Y205-8113 Screening compound: 4-({3-[(3-chloroanilino)carbonyl]-4-ethyl-5-methyl-2-thienyl}amino)-4-oxobutanoic acid
Y205-8113 Screening compound: 4-({3-[(3-chloroanilino)carbonyl]-4-ethyl-5-methyl-2-thienyl}amino)-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-8113
4-({3-[(3-chloroanilino)carbonyl]-4-ethyl-5-methyl-2-thienyl}amino)-4-oxobutanoic acid

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

Y205-8113

Molecular Formula

C18H19ClN2O4S (C18 H19 ClN2 O4 S)

Compound Name

4-({3-[(3-chloroanilino)carbonyl]-4-ethyl-5-methyl-2-thienyl}amino)-4-oxobutanoic acid

IUPAC name

3-({3-[(3-chlorophenyl)carbamoyl]-4-ethyl-5-methylthiophen-2-yl}carbamoyl)propanoic acid

SMILES

CCc1c(C)sc(NC(CCC(O)=O)=O)c1C(Nc1cccc(Cl)c1)=O

InChI

InChI=1S/C18H19ClN2O4S/c1-3-13-10(2)26-18(21-14(22)7-8-15(23)24)16(13)17(25)20-12-6-4-5-11(19)9-12/h4-6,9H,3,7-8H2,1-2H3,(H,20,25)(H,21,22)(H,23,24)

InChI Key

ABVXQQXXXISIFN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.568

Distribution Coefficient, logD

0.618

Water Solubility, LogSw

-4.08

Polar Surface Area

74.657

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

References: we are preparing a list of scientific research reports with Y205-8113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-8113?
Check Price and Availability of Y205-8113, 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 Y205-8113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-8113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-8113
  • 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 Y205-8113 available by request