Y040-4090 Screening compound: 2-[({3-hydroxy-6-oxo-6H-benzo[c]chromen-4-yl}methyl)amino]propanoic acid

Y040-4090 Screening compound: 2-[({3-hydroxy-6-oxo-6H-benzo[c]chromen-4-yl}methyl)amino]propanoic acid
Y040-4090 Screening compound: 2-[({3-hydroxy-6-oxo-6H-benzo[c]chromen-4-yl}methyl)amino]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4090
2-[({3-hydroxy-6-oxo-6H-benzo[c]chromen-4-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

Y040-4090

Molecular Formula

C17H15NO5 (C17 H15 NO5)

Compound Name

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

IUPAC name

(2R)-2-[({3-hydroxy-6-oxo-6H-benzo[c]chromen-4-yl}methyl)amino]propanoic acid

SMILES

CC(C(O)=O)NCc(c(O1)c(cc2)-c(cccc3)c3C1=O)c2O

InChI

InChI=1S/C17H15NO5/c1-9(16(20)21)18-8-13-14(19)7-6-11-10-4-2-3-5-12(10)17(22)23-15(11)13/h2-7,9,18-19H,8H2,1H3,(H,20,21)/t9-/m0/s1

InChI Key

QWHQRWSTIDVINF-VIFPVBQESA-N

MDL Number (MFCD)

MFCD03469545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.31

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

1.089

Distribution Coefficient, logD

-1.668

Water Solubility, LogSw

-2.20

Polar Surface Area

76.520

Acid Dissociation Constant (pKa)

2.78

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

Y040-4090 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y040-4090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4090?
Check Price and Availability of Y040-4090, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y040-4090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4090
  • 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 Y040-4090 available by request