Y040-8628 Screening compound: 1-[3-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

Y040-8628 Screening compound: 1-[3-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid
Y040-8628 Screening compound: 1-[3-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8628
1-[3-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propanoyl]pyrrolidine-2-carboxylic 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

Y040-8628

Molecular Formula

C16H17N3O5 (C16 H17 N3 O5)

Compound Name

1-[3-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

IUPAC name

(2S)-1-[3-(24-dioxo-1234-tetrahydroquinazolin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

SMILES

OC(C(CCC1)N1C(CCN(C(c(cccc1)c1N1)=O)C1=O)=O)=O

InChI

InChI=1S/C16H17N3O5/c20-13(18-8-3-6-12(18)15(22)23)7-9-19-14(21)10-4-1-2-5-11(10)17-16(19)24/h1-2,4-5,12H,3,6-9H2,(H,17,24)(H,22,23)/t12-/m0/s1

InChI Key

SLDLKTUSBDILKI-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.022

Distribution Coefficient, logD

-3.680

Water Solubility, LogSw

-2.15

Polar Surface Area

85.319

Acid Dissociation Constant (pKa)

3.70

Base Dissociation Constant (pKb)

-3.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

Y040-8628 in Drug Discovery

Included in Screening Libraries

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

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y040-8628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8628?
Check Price and Availability of Y040-8628, 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 Y040-8628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8628
  • 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 Y040-8628 available by request