Y040-4049 Screening compound: 4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)propanoate

Y040-4049 Screening compound: 4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)propanoate
Y040-4049 Screening compound: 4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4049
4,8-dimethyl-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

Y040-4049

Molecular Formula

C21H21NO6S (C21 H21 NO6 S)

Compound Name

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

IUPAC name

48-dimethyl-2-oxo-2H-chromen-7-yl (2S)-2-(4-methylbenzenesulfonamido)propanoate

SMILES

CC(C(Oc(cc1)c(C)c(O2)c1C(C)=CC2=O)=O)NS(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C21H21NO6S/c1-12-5-7-16(8-6-12)29(25,26)22-15(4)21(24)27-18-10-9-17-13(2)11-19(23)28-20(17)14(18)3/h5-11,15,22H,1-4H3/t15-/m0/s1

InChI Key

GZCZCIVJJKVYFL-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.47

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

3.563

Distribution Coefficient, logD

3.563

Water Solubility, LogSw

-3.83

Polar Surface Area

82.201

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

-6.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

Y040-4049 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 Y040-4049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4049?
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What is the minimum amount of Y040-4049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4049
  • 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 Y040-4049 available by request