Y041-4662 Screening compound: 6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl 2-{[(benzyloxy)carbonyl]amino}-3-(4-chlorophenyl)propanoate

Y041-4662 Screening compound: 6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl 2-{[(benzyloxy)carbonyl]amino}-3-(4-chlorophenyl)propanoate
Y041-4662 Screening compound: 6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl 2-{[(benzyloxy)carbonyl]amino}-3-(4-chlorophenyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4662
6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl 2-{[(benzyloxy)carbonyl]amino}-3-(4-chlorophenyl)propanoate

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

Y041-4662

Molecular Formula

C30H26ClNO6 (C30 H26 ClNO6)

Compound Name

6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl 2-{[(benzyloxy)carbonyl]amino}-3-(4-chlorophenyl)propanoate

IUPAC name

6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-3-yl 2-{[(benzyloxy)carbonyl]amino}-3-(4-chlorophenyl)propanoate

SMILES

O=C(C(Cc(cc1)ccc1Cl)NC(OCc1ccccc1)=O)Oc(cc1)cc(O2)c1C(CCCC1)=C1C2=O

InChI

InChI=1S/C30H26ClNO6/c31-21-12-10-19(11-13-21)16-26(32-30(35)36-18-20-6-2-1-3-7-20)29(34)37-22-14-15-24-23-8-4-5-9-25(23)28(33)38-27(24)17-22/h1-3,6-7,10-15,17,26H,4-5,8-9,16,18H2,(H,32,35)/t26-/m0/s1

InChI Key

QQMSHVICJBTMHG-SANMLTNESA-N

MDL Number (MFCD)

MFCD10041778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.99

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.742

Distribution Coefficient, logD

6.742

Water Solubility, LogSw

-6.43

Polar Surface Area

73.959

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

-3.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.30

Y041-4662 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y041-4662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4662?
Check Price and Availability of Y041-4662, 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 Y041-4662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4662
  • 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 Y041-4662 available by request