Y204-7425 Screening compound: 6-[(3-chloroanilino)carbonyl]-3,4-dimethyl-3-cyclohexene-1-carboxylic acid

Y204-7425 Screening compound: 6-[(3-chloroanilino)carbonyl]-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
Y204-7425 Screening compound: 6-[(3-chloroanilino)carbonyl]-3,4-dimethyl-3-cyclohexene-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y204-7425
6-[(3-chloroanilino)carbonyl]-3,4-dimethyl-3-cyclohexene-1-carboxylic 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

Y204-7425

Molecular Formula

C16H18ClNO3 (C16 H18 ClNO3)

Compound Name

6-[(3-chloroanilino)carbonyl]-3,4-dimethyl-3-cyclohexene-1-carboxylic acid

IUPAC name

6-[(3-chlorophenyl)carbamoyl]-34-dimethylcyclohex-3-ene-1-carboxylic acid

SMILES

CC(CC1C(Nc2cccc(Cl)c2)=O)=C(C)CC1C(O)=O

InChI

InChI=1S/C16H18ClNO3/c1-9-6-13(14(16(20)21)7-10(9)2)15(19)18-12-5-3-4-11(17)8-12/h3-5,8,13-14H,6-7H2,1-2H3,(H,18,19)(H,20,21)

InChI Key

KOTAEYIGZGZJQW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.247

Distribution Coefficient, logD

0.891

Water Solubility, LogSw

-3.20

Polar Surface Area

51.930

Acid Dissociation Constant (pKa)

5.05

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

Y204-7425 in Drug Discovery

Included in Screening Libraries

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y204-7425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y204-7425?
Check Price and Availability of Y204-7425, 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 Y204-7425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y204-7425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y204-7425
  • 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 Y204-7425 available by request