Y040-2379 Screening compound: 6-oxo-6H-benzo[c]chromen-3-yl 2-(4-methylbenzenesulfonamido)-2-phenylacetate

Y040-2379 Screening compound: 6-oxo-6H-benzo[c]chromen-3-yl 2-(4-methylbenzenesulfonamido)-2-phenylacetate
Y040-2379 Screening compound: 6-oxo-6H-benzo[c]chromen-3-yl 2-(4-methylbenzenesulfonamido)-2-phenylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-2379
6-oxo-6H-benzo[c]chromen-3-yl 2-(4-methylbenzenesulfonamido)-2-phenylacetate

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

Y040-2379

Molecular Formula

C28H21NO6S (C28 H21 NO6 S)

Compound Name

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

IUPAC name

6-oxo-6H-benzo[c]chromen-3-yl (2S)-2-(4-methylbenzenesulfonamido)-2-phenylacetate

SMILES

Cc(cc1)ccc1S(NC(C(Oc(cc1)cc(O2)c1-c(cccc1)c1C2=O)=O)c1ccccc1)(=O)=O

InChI

InChI=1S/C28H21NO6S/c1-18-11-14-21(15-12-18)36(32,33)29-26(19-7-3-2-4-8-19)28(31)34-20-13-16-23-22-9-5-6-10-24(22)27(30)35-25(23)17-20/h2-17,26,29H,1H3/t26-/m1/s1

InChI Key

URCOFOLSAFPXDT-AREMUKBSSA-N

MDL Number (MFCD)

MFCD03707784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.54

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

4.918

Distribution Coefficient, logD

4.917

Water Solubility, LogSw

-5.24

Polar Surface Area

82.590

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

-8.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

7.10

Y040-2379 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-2379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-2379?
Check Price and Availability of Y040-2379, 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 Y040-2379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-2379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-2379
  • 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 Y040-2379 available by request