Y040-8047 Screening compound: 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 3-(4-methylbenzenesulfonamido)propanoate

Y040-8047 Screening compound: 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 3-(4-methylbenzenesulfonamido)propanoate
Y040-8047 Screening compound: 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 3-(4-methylbenzenesulfonamido)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8047
3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 3-(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

Y040-8047

Molecular Formula

C25H20ClNO6S (C25 H20 ClNO6 S)

Compound Name

3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 3-(4-methylbenzenesulfonamido)propanoate

IUPAC name

3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 3-(4-methylbenzenesulfonamido)propanoate

SMILES

Cc(cc1)ccc1S(NCCC(Oc(cc1)cc(OC=C2c(cc3)ccc3Cl)c1C2=O)=O)(=O)=O

InChI

InChI=1S/C25H20ClNO6S/c1-16-2-9-20(10-3-16)34(30,31)27-13-12-24(28)33-19-8-11-21-23(14-19)32-15-22(25(21)29)17-4-6-18(26)7-5-17/h2-11,14-15,27H,12-13H2,1H3

InChI Key

FVVSHKDRDOSHOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01560085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.96

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.636

Distribution Coefficient, logD

4.635

Water Solubility, LogSw

-4.81

Polar Surface Area

82.514

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

-6.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

Y040-8047 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-8047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8047?
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What is the minimum amount of Y040-8047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8047
  • 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 Y040-8047 available by request