Y040-8639 Screening compound: 2-[4-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

Y040-8639 Screening compound: 2-[4-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamido]-3-(4-hydroxyphenyl)propanoic acid
Y040-8639 Screening compound: 2-[4-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamido]-3-(4-hydroxyphenyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8639
2-[4-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamido]-3-(4-hydroxyphenyl)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

Y040-8639

Molecular Formula

C21H21N3O6 (C21 H21 N3 O6)

Compound Name

2-[4-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

IUPAC name

(2S)-2-[4-(24-dioxo-1234-tetrahydroquinazolin-3-yl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

SMILES

OC([C@H](Cc(cc1)ccc1O)NC(CCCN(C(c(cccc1)c1N1)=O)C1=O)=O)=O

InChI

InChI=1S/C21H21N3O6/c25-14-9-7-13(8-10-14)12-17(20(28)29)22-18(26)6-3-11-24-19(27)15-4-1-2-5-16(15)23-21(24)30/h1-2,4-5,7-10,17,25H,3,6,11-12H2,(H,22,26)(H,23,30)(H,28,29)/t17-/m0/s1

InChI Key

OWTFPWHQKXEPHT-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.215

Distribution Coefficient, logD

-3.375

Water Solubility, LogSw

-2.19

Polar Surface Area

110.586

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

Y040-8639 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

ACE2 Library (3043 compounds)

Antiviral Library (67538 compounds)

CORONAVIRUS Library (20774 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y040-8639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8639?
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What is the minimum amount of Y040-8639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8639
  • 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 Y040-8639 available by request