Y041-2283 Screening compound: 4-[(2-{[4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl]oxy}propanamido)methyl]cyclohexane-1-carboxylic acid

Y041-2283 Screening compound: 4-[(2-{[4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl]oxy}propanamido)methyl]cyclohexane-1-carboxylic acid
Y041-2283 Screening compound: 4-[(2-{[4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl]oxy}propanamido)methyl]cyclohexane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2283
4-[(2-{[4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl]oxy}propanamido)methyl]cyclohexane-1-carboxylic acid

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

Y041-2283

Molecular Formula

C28H31NO7 (C28 H31 NO7)

Compound Name

4-[(2-{[4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl]oxy}propanamido)methyl]cyclohexane-1-carboxylic acid

IUPAC name

(1r4r)-4-[(2-{[4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl]oxy}propanamido)methyl]cyclohexane-1-carboxylic acid

SMILES

CC(C(NC[C@H](CC1)CC[C@@H]1C(O)=O)=O)Oc(cc1)c(C)c(O2)c1C(c(cc1)ccc1OC)=CC2=O

InChI

InChI=1S/C28H31NO7/c1-16-24(35-17(2)27(31)29-15-18-4-6-20(7-5-18)28(32)33)13-12-22-23(14-25(30)36-26(16)22)19-8-10-21(34-3)11-9-19/h8-14,17-18,20H,4-7,15H2,1-3H3,(H,29,31)(H,32,33)/t17-,18?,20?/m0/s1

InChI Key

YNUPOGYQISPFQE-ZJRDLVKKSA-N

MDL Number (MFCD)

MFCD05673541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.905

Distribution Coefficient, logD

1.345

Water Solubility, LogSw

-4.16

Polar Surface Area

87.492

Acid Dissociation Constant (pKa)

4.84

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

Y041-2283 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y041-2283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2283?
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What is the minimum amount of Y041-2283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2283
  • 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 Y041-2283 available by request