Y040-3441 Screening compound: 3,4,8-trimethyl-2-oxo-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)propanoate

Y040-3441 Screening compound: 3,4,8-trimethyl-2-oxo-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)propanoate
Y040-3441 Screening compound: 3,4,8-trimethyl-2-oxo-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3441
3,4,8-trimethyl-2-oxo-2H-chromen-7-yl 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

Y040-3441

Molecular Formula

C22H23NO6S (C22 H23 NO6 S)

Compound Name

3,4,8-trimethyl-2-oxo-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)propanoate

IUPAC name

348-trimethyl-2-oxo-2H-chromen-7-yl (2S)-2-(4-methylbenzenesulfonamido)propanoate

SMILES

CC(C(Oc(cc1)c(C)c(O2)c1C(C)=C(C)C2=O)=O)NS(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C22H23NO6S/c1-12-6-8-17(9-7-12)30(26,27)23-16(5)22(25)28-19-11-10-18-13(2)14(3)21(24)29-20(18)15(19)4/h6-11,16,23H,1-5H3/t16-/m0/s1

InChI Key

SKJGCAYWTZRNDM-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.49

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

4.082

Distribution Coefficient, logD

4.082

Water Solubility, LogSw

-4.35

Polar Surface Area

82.715

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

-6.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

Y040-3441 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with Y040-3441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3441?
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What is the minimum amount of Y040-3441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3441
  • 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 Y040-3441 available by request