Y040-3692 Screening compound: 3,4-dimethyl-2-oxo-2H-chromen-7-yl 4-methyl-2-(4-methylbenzenesulfonamido)pentanoate

Y040-3692 Screening compound: 3,4-dimethyl-2-oxo-2H-chromen-7-yl 4-methyl-2-(4-methylbenzenesulfonamido)pentanoate
Y040-3692 Screening compound: 3,4-dimethyl-2-oxo-2H-chromen-7-yl 4-methyl-2-(4-methylbenzenesulfonamido)pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3692
3,4-dimethyl-2-oxo-2H-chromen-7-yl 4-methyl-2-(4-methylbenzenesulfonamido)pentanoate

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

Y040-3692

Molecular Formula

C24H27NO6S (C24 H27 NO6 S)

Compound Name

3,4-dimethyl-2-oxo-2H-chromen-7-yl 4-methyl-2-(4-methylbenzenesulfonamido)pentanoate

IUPAC name

34-dimethyl-2-oxo-2H-chromen-7-yl (2S)-4-methyl-2-(4-methylbenzenesulfonamido)pentanoate

SMILES

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

InChI

InChI=1S/C24H27NO6S/c1-14(2)12-21(25-32(28,29)19-9-6-15(3)7-10-19)24(27)30-18-8-11-20-16(4)17(5)23(26)31-22(20)13-18/h6-11,13-14,21,25H,12H2,1-5H3/t21-/m0/s1

InChI Key

NKSKOUYCTWJQJW-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.55

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

5.047

Distribution Coefficient, logD

5.047

Water Solubility, LogSw

-4.68

Polar Surface Area

83.412

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

-7.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with Y040-3692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3692?
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What is the minimum amount of Y040-3692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3692
  • 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 Y040-3692 available by request