ZC44-0250 Screening compound: 1-[4-(1H-imidazole-5-carbonyl)-7-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-phenylethan-1-one

ZC44-0250 Screening compound: 1-[4-(1H-imidazole-5-carbonyl)-7-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-phenylethan-1-one
ZC44-0250 Screening compound: 1-[4-(1H-imidazole-5-carbonyl)-7-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-phenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound ZC44-0250
1-[4-(1H-imidazole-5-carbonyl)-7-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-phenylethan-1-one

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

ZC44-0250

Molecular Formula

C20H23N7O2 (C20 H23 N7 O2)

Compound Name

1-[4-(1H-imidazole-5-carbonyl)-7-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-phenylethan-1-one

IUPAC name

1-[4-(1H-imidazole-5-carbonyl)-7-(3-methyl-1H-124-triazol-5-yl)-14-diazepan-1-yl]-2-phenylethan-1-one

SMILES

Cc1n[nH]c(C(CCN(CC2)C(c3cnc[nH]3)=O)N2C(Cc2ccccc2)=O)n1

InChI

InChI=1S/C20H23N7O2/c1-14-23-19(25-24-14)17-7-8-26(20(29)16-12-21-13-22-16)9-10-27(17)18(28)11-15-5-3-2-4-6-15/h2-6,12-13,17H,7-11H2,1H3,(H,21,22)(H,23,24,25)/t17-/m1/s1

InChI Key

CFVYCAKUUYVTAK-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32010417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.630

Distribution Coefficient, logD

0.621

Water Solubility, LogSw

-1.10

Polar Surface Area

87.537

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

5.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

ZC44-0250 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with ZC44-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound ZC44-0250?
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What is the minimum amount of ZC44-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for ZC44-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for ZC44-0250
  • 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 ZC44-0250 available by request