Y040-3691 Screening compound: 2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl 2-(4-methylbenzenesulfonamido)butanoate

Y040-3691 Screening compound: 2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl 2-(4-methylbenzenesulfonamido)butanoate
Y040-3691 Screening compound: 2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl 2-(4-methylbenzenesulfonamido)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3691
2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[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

Y040-3691

Molecular Formula

C24H24ClNO6S (C24 H24 ClNO6 S)

Compound Name

2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl 2-(4-methylbenzenesulfonamido)butanoate

IUPAC name

2-chloro-6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-3-yl 2-(4-methylbenzenesulfonamido)butanoate

SMILES

CCC(C(Oc(cc(c(C1=C2CCCC1)c1)OC2=O)c1Cl)=O)NS(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C24H24ClNO6S/c1-3-20(26-33(29,30)15-10-8-14(2)9-11-15)24(28)32-22-13-21-18(12-19(22)25)16-6-4-5-7-17(16)23(27)31-21/h8-13,20,26H,3-7H2,1-2H3/t20-/m0/s1

InChI Key

JVFWWNJGRWUQOF-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD04024607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.98

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

5.618

Distribution Coefficient, logD

5.618

Water Solubility, LogSw

-5.91

Polar Surface Area

83.419

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

-8.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with Y040-3691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3691?
Check Price and Availability of Y040-3691, 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 Y040-3691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3691
  • 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 Y040-3691 available by request