Y040-8480 Screening compound: 3-{[(2S)-3-methyl-2-({2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]acetyl}amino)butanoyl]amino}propanoic acid

Y040-8480 Screening compound: 3-{[(2S)-3-methyl-2-({2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]acetyl}amino)butanoyl]amino}propanoic acid
Y040-8480 Screening compound: 3-{[(2S)-3-methyl-2-({2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]acetyl}amino)butanoyl]amino}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8480
3-{[(2S)-3-methyl-2-({2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]acetyl}amino)butanoyl]amino}propanoic 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

Y040-8480

Molecular Formula

C23H28N2O7 (C23 H28 N2 O7)

Compound Name

3-{[(2S)-3-methyl-2-({2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]acetyl}amino)butanoyl]amino}propanoic acid

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H28N2O7/c1-12(2)21(22(29)24-8-7-19(27)28)25-18(26)11-31-16-9-13(3)10-17-20(16)14-5-4-6-15(14)23(30)32-17/h9-10,12,21H,4-8,11H2,1-3H3,(H,24,29)(H,25,26)(H,27,28)/t21-/m0/s1

InChI Key

MMLGYLURLBDWNW-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.222

Distribution Coefficient, logD

-1.473

Water Solubility, LogSw

-1.64

Polar Surface Area

105.766

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

Y040-8480 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-8480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8480?
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What is the minimum amount of Y040-8480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8480
  • 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 Y040-8480 available by request