Y040-8048 Screening compound: 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate

Y040-8048 Screening compound: 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate
Y040-8048 Screening compound: 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8048
3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate

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

Y040-8048

Molecular Formula

C28H26ClNO6S (C28 H26 ClNO6 S)

Compound Name

3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate

IUPAC name

3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate

SMILES

Cc(cc1)ccc1S(NCCCCCC(Oc(cc1)cc(OC=C2c(cc3)ccc3Cl)c1C2=O)=O)(=O)=O

InChI

InChI=1S/C28H26ClNO6S/c1-19-6-13-23(14-7-19)37(33,34)30-16-4-2-3-5-27(31)36-22-12-15-24-26(17-22)35-18-25(28(24)32)20-8-10-21(29)11-9-20/h6-15,17-18,30H,2-5,16H2,1H3

InChI Key

ZWDSCSKZAKVYSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02669269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.04

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.551

Distribution Coefficient, logD

5.551

Water Solubility, LogSw

-5.81

Polar Surface Area

82.514

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

Y040-8048 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with Y040-8048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8048?
Check Price and Availability of Y040-8048, 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 Y040-8048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8048
  • 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 Y040-8048 available by request