Y043-4964 Screening compound: 3-[1-(3-chlorobenzyl)-2,5-dioxo-4-imidazolidinyl]-N-[(1S)-1-[1,2,4]triazolo[4,3-a]pyridin-3-ylethyl]propanamide

Y043-4964 Screening compound: 3-[1-(3-chlorobenzyl)-2,5-dioxo-4-imidazolidinyl]-N-[(1S)-1-[1,2,4]triazolo[4,3-a]pyridin-3-ylethyl]propanamide
Y043-4964 Screening compound: 3-[1-(3-chlorobenzyl)-2,5-dioxo-4-imidazolidinyl]-N-[(1S)-1-[1,2,4]triazolo[4,3-a]pyridin-3-ylethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-4964
3-[1-(3-chlorobenzyl)-2,5-dioxo-4-imidazolidinyl]-N-[(1S)-1-[1,2,4]triazolo[4,3-a]pyridin-3-ylethyl]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

Y043-4964

Molecular Formula

C21H21ClN6O3 (C21 H21 ClN6 O3)

Compound Name

3-[1-(3-chlorobenzyl)-2,5-dioxo-4-imidazolidinyl]-N-[(1S)-1-[1,2,4]triazolo[4,3-a]pyridin-3-ylethyl]propanamide

IUPAC name

3-{1-[(3-chlorophenyl)methyl]-25-dioxoimidazolidin-4-yl}-N-[(1S)-1-{[124]triazolo[43-a]pyridin-3-yl}ethyl]propanamide

SMILES

CC(c1nnc2n1cccc2)NC(CCC(C(N1Cc2cccc(Cl)c2)=O)NC1=O)=O

InChI

InChI=1S/C21H21ClN6O3/c1-13(19-26-25-17-7-2-3-10-27(17)19)23-18(29)9-8-16-20(30)28(21(31)24-16)12-14-5-4-6-15(22)11-14/h2-7,10-11,13,16H,8-9,12H2,1H3,(H,23,29)(H,24,31)/t13-,16?/m0/s1

InChI Key

FCGOSRMZNCRWLG-KNVGNIICSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.558

Distribution Coefficient, logD

1.558

Water Solubility, LogSw

-2.62

Polar Surface Area

86.909

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

-5.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.57

Y043-4964 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 Y043-4964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-4964?
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What is the minimum amount of Y043-4964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-4964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-4964
  • 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 Y043-4964 available by request