Y021-2553 Screening compound: N-(4-chlorophenyl)-2-[1-(2-methoxyethyl)-2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazol-3-yl]acetamide

Y021-2553 Screening compound: N-(4-chlorophenyl)-2-[1-(2-methoxyethyl)-2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazol-3-yl]acetamide
Y021-2553 Screening compound: N-(4-chlorophenyl)-2-[1-(2-methoxyethyl)-2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazol-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2553
N-(4-chlorophenyl)-2-[1-(2-methoxyethyl)-2-oxo-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

Y021-2553

Molecular Formula

C21H21ClN4O3 (C21 H21 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

COCCN(c1nc(cccc2)c2n1CC1CC(Nc(cc2)ccc2Cl)=O)C1=O

InChI

InChI=1S/C21H21ClN4O3/c1-29-11-10-25-20(28)14(12-19(27)23-16-8-6-15(22)7-9-16)13-26-18-5-3-2-4-17(18)24-21(25)26/h2-9,14H,10-13H2,1H3,(H,23,27)/t14-/m0/s1

InChI Key

VDUXSVKBRJLDEJ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD31711611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.410

Distribution Coefficient, logD

3.407

Water Solubility, LogSw

-3.73

Polar Surface Area

56.672

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

Y021-2553 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 Y021-2553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-2553?
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What is the minimum amount of Y021-2553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2553
  • 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 Y021-2553 available by request