Y040-3627 Screening compound: 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 3-methyl-2-(4-methylbenzenesulfonamido)butanoate

Y040-3627 Screening compound: 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 3-methyl-2-(4-methylbenzenesulfonamido)butanoate
Y040-3627 Screening compound: 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 3-methyl-2-(4-methylbenzenesulfonamido)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3627
3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 3-methyl-2-(4-methylbenzenesulfonamido)butanoate

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

Y040-3627

Molecular Formula

C24H27NO6S (C24 H27 NO6 S)

Compound Name

3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 3-methyl-2-(4-methylbenzenesulfonamido)butanoate

IUPAC name

347-trimethyl-2-oxo-2H-chromen-5-yl (2S)-3-methyl-2-(4-methylbenzenesulfonamido)butanoate

SMILES

CC(C)C(C(Oc1c(C(C)=C(C)C(O2)=O)c2cc(C)c1)=O)NS(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C24H27NO6S/c1-13(2)22(25-32(28,29)18-9-7-14(3)8-10-18)24(27)31-20-12-15(4)11-19-21(20)16(5)17(6)23(26)30-19/h7-13,22,25H,1-6H3/t22-/m0/s1

InChI Key

VVMLRHRWJKZDDT-QFIPXVFZSA-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

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.102

Distribution Coefficient, logD

5.102

Water Solubility, LogSw

-5.02

Polar Surface Area

83.220

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

-7.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

Y040-3627 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with Y040-3627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3627?
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What is the minimum amount of Y040-3627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3627
  • 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 Y040-3627 available by request