D459-0099 Screening compound: 3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)propanamide

D459-0099 Screening compound: 3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)propanamide
D459-0099 Screening compound: 3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D459-0099
3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)propanamide

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

D459-0099

Molecular Formula

C16H17N5O3 (C16 H17 N5 O3)

Compound Name

3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)propanamide

IUPAC name

3-(24-dioxo-1234-tetrahydropyrimidin-1-yl)-N-(2-{imidazo[12-a]pyridin-2-yl}ethyl)propanamide

SMILES

O=C(CCN(C=CC(N1)=O)C1=O)NCCc1cn(cccc2)c2n1

InChI

InChI=1S/C16H17N5O3/c22-14(5-9-20-10-6-15(23)19-16(20)24)17-7-4-12-11-21-8-2-1-3-13(21)18-12/h1-3,6,8,10-11H,4-5,7,9H2,(H,17,22)(H,19,23,24)

InChI Key

RATDAXGBOJKVHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08143679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.523

Distribution Coefficient, logD

-0.541

Water Solubility, LogSw

-1.20

Polar Surface Area

75.226

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

6.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D459-0099 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D459-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D459-0099?
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What is the minimum amount of D459-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D459-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D459-0099
  • 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 D459-0099 available by request