Y040-3596 Screening compound: 2-[({7-hydroxy-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-6-yl}methyl)amino]propanoic acid

Y040-3596 Screening compound: 2-[({7-hydroxy-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-6-yl}methyl)amino]propanoic acid
Y040-3596 Screening compound: 2-[({7-hydroxy-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-6-yl}methyl)amino]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3596
2-[({7-hydroxy-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-6-yl}methyl)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

Y040-3596

Molecular Formula

C16H17NO5 (C16 H17 NO5)

Compound Name

2-[({7-hydroxy-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-6-yl}methyl)amino]propanoic acid

IUPAC name

(2S)-2-[({7-hydroxy-4-oxo-1H2H3H4H-cyclopenta[c]chromen-6-yl}methyl)amino]propanoic acid

SMILES

CC(C(O)=O)NCc(c(O1)c(cc2)C(CCC3)=C3C1=O)c2O

InChI

InChI=1S/C16H17NO5/c1-8(15(19)20)17-7-12-13(18)6-5-10-9-3-2-4-11(9)16(21)22-14(10)12/h5-6,8,17-18H,2-4,7H2,1H3,(H,19,20)/t8-/m0/s1

InChI Key

AFDCVEKQYSLRDS-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD03469129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.788

Distribution Coefficient, logD

-1.968

Water Solubility, LogSw

-2.12

Polar Surface Area

77.079

Acid Dissociation Constant (pKa)

2.78

Base Dissociation Constant (pKb)

8.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

Y040-3596 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-3596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3596?
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What is the minimum amount of Y040-3596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3596
  • 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 Y040-3596 available by request