Y040-8482 Screening compound: 3-methyl-2-{6-[2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-yl}oxy)acetamido]hexanamido}butanoic acid

Y040-8482 Screening compound: 3-methyl-2-{6-[2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-yl}oxy)acetamido]hexanamido}butanoic acid
Y040-8482 Screening compound: 3-methyl-2-{6-[2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-yl}oxy)acetamido]hexanamido}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8482
3-methyl-2-{6-[2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-yl}oxy)acetamido]hexanamido}butanoic 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

Y040-8482

Molecular Formula

C26H34N2O7 (C26 H34 N2 O7)

Compound Name

3-methyl-2-{6-[2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-yl}oxy)acetamido]hexanamido}butanoic acid

IUPAC name

(2S)-3-methyl-2-{6-[2-({7-methyl-4-oxo-1H2H3H4H-cyclopenta[c]chromen-9-yl}oxy)acetamido]hexanamido}butanoic acid

SMILES

CC(C)C(C(O)=O)NC(CCCCCNC(COc1cc(C)cc(O2)c1C(CCC1)=C1C2=O)=O)=O

InChI

InChI=1S/C26H34N2O7/c1-15(2)24(25(31)32)28-21(29)10-5-4-6-11-27-22(30)14-34-19-12-16(3)13-20-23(19)17-8-7-9-18(17)26(33)35-20/h12-13,15,24H,4-11,14H2,1-3H3,(H,27,30)(H,28,29)(H,31,32)/t24-/m0/s1

InChI Key

NXZOCBSUYHEPBG-DEOSSOPVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.084

Distribution Coefficient, logD

-2.503

Water Solubility, LogSw

-1.53

Polar Surface Area

105.577

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

References: we are preparing a list of scientific research reports with Y040-8482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8482?
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What is the minimum amount of Y040-8482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8482
  • 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 Y040-8482 available by request