Y040-8625 Screening compound: 3-(3,4-dimethoxyphenyl)-3-[2-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)acetamido]propanoic acid

Y040-8625 Screening compound: 3-(3,4-dimethoxyphenyl)-3-[2-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)acetamido]propanoic acid
Y040-8625 Screening compound: 3-(3,4-dimethoxyphenyl)-3-[2-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)acetamido]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8625
3-(3,4-dimethoxyphenyl)-3-[2-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)acetamido]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

Y040-8625

Molecular Formula

C21H21N3O7 (C21 H21 N3 O7)

Compound Name

3-(3,4-dimethoxyphenyl)-3-[2-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)acetamido]propanoic acid

IUPAC name

3-(34-dimethoxyphenyl)-3-[2-(24-dioxo-1234-tetrahydroquinazolin-3-yl)acetamido]propanoic acid

SMILES

COc(ccc(C(CC(O)=O)NC(CN(C(c(cccc1)c1N1)=O)C1=O)=O)c1)c1OC

InChI

InChI=1S/C21H21N3O7/c1-30-16-8-7-12(9-17(16)31-2)15(10-19(26)27)22-18(25)11-24-20(28)13-5-3-4-6-14(13)23-21(24)29/h3-9,15H,10-11H2,1-2H3,(H,22,25)(H,23,29)(H,26,27)/t15-/m0/s1

InChI Key

WGKALOXGHZGKAW-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD08742206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.178

Distribution Coefficient, logD

-1.460

Water Solubility, LogSw

-2.41

Polar Surface Area

108.227

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

Y040-8625 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 Y040-8625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8625?
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What is the minimum amount of Y040-8625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8625
  • 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 Y040-8625 available by request