Y041-1694 Screening compound: 3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate

Y041-1694 Screening compound: 3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate
Y041-1694 Screening compound: 3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1694
3-benzyl-4,8-dimethyl-2-oxo-2H-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

Y041-1694

Molecular Formula

C31H33NO6S (C31 H33 NO6 S)

Compound Name

3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate

IUPAC name

3-benzyl-48-dimethyl-2-oxo-2H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate

SMILES

Cc(cc1)ccc1S(NCCCCCC(Oc(cc1)c(C)c(O2)c1C(C)=C(Cc1ccccc1)C2=O)=O)(=O)=O

InChI

InChI=1S/C31H33NO6S/c1-21-13-15-25(16-14-21)39(35,36)32-19-9-5-8-12-29(33)37-28-18-17-26-22(2)27(20-24-10-6-4-7-11-24)31(34)38-30(26)23(28)3/h4,6-7,10-11,13-18,32H,5,8-9,12,19-20H2,1-3H3

InChI Key

HKWJXYGZEMHNBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03850581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.67

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.381

Distribution Coefficient, logD

6.381

Water Solubility, LogSw

-5.49

Polar Surface Area

82.314

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

Y041-1694 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y041-1694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1694?
Check Price and Availability of Y041-1694, 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 Y041-1694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1694
  • 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 Y041-1694 available by request