Y041-1480 Screening compound: 2-[({7-hydroxy-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-6-yl}methyl)amino]butanoic acid

Y041-1480 Screening compound: 2-[({7-hydroxy-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-6-yl}methyl)amino]butanoic acid
Y041-1480 Screening compound: 2-[({7-hydroxy-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-6-yl}methyl)amino]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1480
2-[({7-hydroxy-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-6-yl}methyl)amino]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

Y041-1480

Molecular Formula

C17H19NO5 (C17 H19 NO5)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C17H19NO5/c1-2-13(16(20)21)18-8-12-14(19)7-6-10-9-4-3-5-11(9)17(22)23-15(10)12/h6-7,13,18-19H,2-5,8H2,1H3,(H,20,21)/t13-/m0/s1

InChI Key

GFSKEUPEPKKENX-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD01847583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.920

Distribution Coefficient, logD

-1.806

Water Solubility, LogSw

-2.27

Polar Surface Area

77.546

Acid Dissociation Constant (pKa)

2.81

Base Dissociation Constant (pKb)

8.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

Y041-1480 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 Y041-1480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1480?
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What is the minimum amount of Y041-1480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1480
  • 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 Y041-1480 available by request