Y021-2560 Screening compound: N-(4-chlorophenyl)-2-[2-oxo-1-(2-pyridylmethyl)-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazol-3-yl]acetamide

Y021-2560 Screening compound: N-(4-chlorophenyl)-2-[2-oxo-1-(2-pyridylmethyl)-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazol-3-yl]acetamide
Y021-2560 Screening compound: N-(4-chlorophenyl)-2-[2-oxo-1-(2-pyridylmethyl)-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazol-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2560
N-(4-chlorophenyl)-2-[2-oxo-1-(2-pyridylmethyl)-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazol-3-yl]acetamide

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

Y021-2560

Molecular Formula

C24H20ClN5O2 (C24 H20 ClN5 O2)

Compound Name

N-(4-chlorophenyl)-2-[2-oxo-1-(2-pyridylmethyl)-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazol-3-yl]acetamide

IUPAC name

N-(4-chlorophenyl)-2-{11-oxo-10-[(pyridin-2-yl)methyl]-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-12-yl}acetamide

SMILES

O=C(CC(Cn1c(N2Cc3ncccc3)nc3c1cccc3)C2=O)Nc(cc1)ccc1Cl

InChI

InChI=1S/C24H20ClN5O2/c25-17-8-10-18(11-9-17)27-22(31)13-16-14-29-21-7-2-1-6-20(21)28-24(29)30(23(16)32)15-19-5-3-4-12-26-19/h1-12,16H,13-15H2,(H,27,31)/t16-/m0/s1

InChI Key

IODWBXBNMBPHBK-INIZCTEOSA-N

MDL Number (MFCD)

MFCD31711618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.905

Distribution Coefficient, logD

3.901

Water Solubility, LogSw

-4.43

Polar Surface Area

57.623

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.67

Y021-2560 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y021-2560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-2560?
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What is the minimum amount of Y021-2560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2560
  • 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 Y021-2560 available by request