Y040-2662 Screening compound: 2-[2-({4-METHYL-6-OXO-6H,7H,8H,9H,10H-CYCLOHEXA[C]CHROMEN-3-YL}OXY)ACETAMIDO]-2-PHENYLACETIC ACID

Y040-2662 Screening compound: 2-[2-({4-METHYL-6-OXO-6H,7H,8H,9H,10H-CYCLOHEXA[C]CHROMEN-3-YL}OXY)ACETAMIDO]-2-PHENYLACETIC ACID
Y040-2662 Screening compound: 2-[2-({4-METHYL-6-OXO-6H,7H,8H,9H,10H-CYCLOHEXA[C]CHROMEN-3-YL}OXY)ACETAMIDO]-2-PHENYLACETIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-2662
2-[2-({4-METHYL-6-OXO-6H,7H,8H,9H,10H-CYCLOHEXA[C]CHROMEN-3-YL}OXY)ACETAMIDO]-2-PHENYLACETIC 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

Y040-2662

Molecular Formula

C24H23NO6 (C24 H23 NO6)

Compound Name

2-[2-({4-METHYL-6-OXO-6H,7H,8H,9H,10H-CYCLOHEXA[C]CHROMEN-3-YL}OXY)ACETAMIDO]-2-PHENYLACETIC ACID

IUPAC name

n/a

SMILES

Cc(c(O1)c(cc2)C(CCCC3)=C3C1=O)c2OCC(NC(C(O)=O)c1ccccc1)=O

InChI

InChI=1S/C24H23NO6/c1-14-19(12-11-17-16-9-5-6-10-18(16)24(29)31-22(14)17)30-13-20(26)25-21(23(27)28)15-7-3-2-4-8-15/h2-4,7-8,11-12,21H,5-6,9-10,13H2,1H3,(H,25,26)(H,27,28)/t21-/m1/s1

InChI Key

USXFKYQAUYLZOT-OAQYLSRUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.073

Distribution Coefficient, logD

-0.801

Water Solubility, LogSw

-3.29

Polar Surface Area

80.311

Acid Dissociation Constant (pKa)

3.53

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

Y040-2662 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y040-2662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-2662?
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What is the minimum amount of Y040-2662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-2662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-2662
  • 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 Y040-2662 available by request