Y041-2474 Screening compound: 8-chloro-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanoate

Y041-2474 Screening compound: 8-chloro-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanoate
Y041-2474 Screening compound: 8-chloro-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2474
8-chloro-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanoate

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

Y041-2474

Molecular Formula

C29H24ClNO6 (C29 H24 ClNO6)

Compound Name

8-chloro-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanoate

IUPAC name

8-chloro-4-oxo-1H2H3H4H-cyclopenta[c]chromen-7-yl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanoate

SMILES

O=C(C(Cc1ccccc1)NC(OCc1ccccc1)=O)Oc(cc(c(C1=C2CCC1)c1)OC2=O)c1Cl

InChI

InChI=1S/C29H24ClNO6/c30-23-15-22-20-12-7-13-21(20)27(32)36-25(22)16-26(23)37-28(33)24(14-18-8-3-1-4-9-18)31-29(34)35-17-19-10-5-2-6-11-19/h1-6,8-11,15-16,24H,7,12-14,17H2,(H,31,34)/t24-/m0/s1

InChI Key

WKEZRBULJDFEDU-DEOSSOPVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.97

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

5.989

Distribution Coefficient, logD

5.989

Water Solubility, LogSw

-6.22

Polar Surface Area

74.411

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

-4.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

Y041-2474 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

MCL1 Targeted Library (12200 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

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:
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with Y041-2474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2474?
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What is the minimum amount of Y041-2474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2474
  • 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 Y041-2474 available by request