Y042-2769 Screening compound: 3-[4-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamido]propanoic acid

Y042-2769 Screening compound: 3-[4-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamido]propanoic acid
Y042-2769 Screening compound: 3-[4-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamido]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-2769
3-[4-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamido]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

Y042-2769

Molecular Formula

C15H17N3O5 (C15 H17 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

OC(CCNC(CCCN(C(c(cccc1)c1N1)=O)C1=O)=O)=O

InChI

InChI=1S/C15H17N3O5/c19-12(16-8-7-13(20)21)6-3-9-18-14(22)10-4-1-2-5-11(10)17-15(18)23/h1-2,4-5H,3,6-9H2,(H,16,19)(H,17,23)(H,20,21)

InChI Key

GBZORYXUEJLYKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06607352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.715

Distribution Coefficient, logD

-3.411

Water Solubility, LogSw

-2.10

Polar Surface Area

93.427

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

Y042-2769 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Arginase Targeted Library (2009 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y042-2769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-2769?
Check Price and Availability of Y042-2769, 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 Y042-2769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-2769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-2769
  • 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 Y042-2769 available by request