Y040-4501 Screening compound: 8-chloro-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-methyl-2-(4-methylbenzenesulfonamido)propanoate

Y040-4501 Screening compound: 8-chloro-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-methyl-2-(4-methylbenzenesulfonamido)propanoate
Y040-4501 Screening compound: 8-chloro-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-methyl-2-(4-methylbenzenesulfonamido)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4501
8-chloro-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-methyl-2-(4-methylbenzenesulfonamido)propanoate

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

Y040-4501

Molecular Formula

C23H22ClNO6S (C23 H22 ClNO6 S)

Compound Name

8-chloro-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-methyl-2-(4-methylbenzenesulfonamido)propanoate

IUPAC name

8-chloro-4-oxo-1H2H3H4H-cyclopenta[c]chromen-7-yl 2-methyl-2-(4-methylbenzenesulfonamido)propanoate

SMILES

CC(C)(C(Oc(cc(c(C1=C2CCC1)c1)OC2=O)c1Cl)=O)NS(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C23H22ClNO6S/c1-13-7-9-14(10-8-13)32(28,29)25-23(2,3)22(27)31-20-12-19-17(11-18(20)24)15-5-4-6-16(15)21(26)30-19/h7-12,25H,4-6H2,1-3H3

InChI Key

KEPYJFRHLZKHEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02667305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.95

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.401

Distribution Coefficient, logD

4.401

Water Solubility, LogSw

-4.65

Polar Surface Area

83.167

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

-7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

Y040-4501 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-4501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4501?
Check Price and Availability of Y040-4501, 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 Y040-4501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4501
  • 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 Y040-4501 available by request