Y040-3444 Screening compound: 8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl 2-(4-methylbenzenesulfonamido)butanoate

Y040-3444 Screening compound: 8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl 2-(4-methylbenzenesulfonamido)butanoate
Y040-3444 Screening compound: 8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl 2-(4-methylbenzenesulfonamido)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3444
8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl 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

Y040-3444

Molecular Formula

C25H23NO7S (C25 H23 NO7 S)

Compound Name

8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl 2-(4-methylbenzenesulfonamido)butanoate

IUPAC name

8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl 2-(4-methylbenzenesulfonamido)butanoate

SMILES

CCC(C(Oc(cc1)cc(O2)c1-c(ccc(OC)c1)c1C2=O)=O)NS(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C25H23NO7S/c1-4-22(26-34(29,30)18-9-5-15(2)6-10-18)25(28)32-17-8-12-20-19-11-7-16(31-3)13-21(19)24(27)33-23(20)14-17/h5-14,22,26H,4H2,1-3H3/t22-/m0/s1

InChI Key

ZYUGUAWCSFDFQE-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD06764269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.894

Distribution Coefficient, logD

4.894

Water Solubility, LogSw

-5.08

Polar Surface Area

90.684

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

-7.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

Y040-3444 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with Y040-3444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3444?
Check Price and Availability of Y040-3444, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y040-3444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3444
  • 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 Y040-3444 available by request