Y040-8024 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate

Y040-8024 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate
Y040-8024 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8024
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(trifluoromethyl)-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

Y040-8024

Molecular Formula

C31H28F3NO8S (C31 H28 F3 NO8 S)

Compound Name

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate

IUPAC name

3-(23-dihydro-14-benzodioxin-6-yl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate

SMILES

Cc(cc1)ccc1S(NCCCCCC(Oc(cc1)cc(OC(C(F)(F)F)=C2c(cc3)cc4c3OCCO4)c1C2=O)=O)(=O)=O

InChI

InChI=1S/C31H28F3NO8S/c1-19-6-10-22(11-7-19)44(38,39)35-14-4-2-3-5-27(36)42-21-9-12-23-25(18-21)43-30(31(32,33)34)28(29(23)37)20-8-13-24-26(17-20)41-16-15-40-24/h6-13,17-18,35H,2-5,14-16H2,1H3

InChI Key

MXWPDCXBDHMHGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00707153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

631.63

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.119

Distribution Coefficient, logD

5.118

Water Solubility, LogSw

-4.73

Polar Surface Area

97.755

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

Y040-8024 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 Y040-8024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8024?
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What is the minimum amount of Y040-8024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8024
  • 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 Y040-8024 available by request