ZC44-0054 Screening compound: 2-methyl-1-[7-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]propan-1-one

ZC44-0054 Screening compound: 2-methyl-1-[7-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]propan-1-one
ZC44-0054 Screening compound: 2-methyl-1-[7-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound ZC44-0054
2-methyl-1-[7-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]propan-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

ZC44-0054

Molecular Formula

C20H27N5O3 (C20 H27 N5 O3)

Compound Name

2-methyl-1-[7-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]propan-1-one

IUPAC name

2-methyl-1-[7-(3-methyl-1H-124-triazol-5-yl)-4-(2-phenoxyacetyl)-14-diazepan-1-yl]propan-1-one

SMILES

CC(C)C(N(CCN(CC1)C(COc2ccccc2)=O)C1c1nc(C)n[nH]1)=O

InChI

InChI=1S/C20H27N5O3/c1-14(2)20(27)25-12-11-24(10-9-17(25)19-21-15(3)22-23-19)18(26)13-28-16-7-5-4-6-8-16/h4-8,14,17H,9-13H2,1-3H3,(H,21,22,23)/t17-/m0/s1

InChI Key

QCPYMWQOAILYHY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31957547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.334

Distribution Coefficient, logD

1.334

Water Solubility, LogSw

-1.81

Polar Surface Area

74.009

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

1.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

ZC44-0054 in Drug Discovery

Included in Screening Libraries

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

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 ZC44-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound ZC44-0054?
Check Price and Availability of ZC44-0054, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of ZC44-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for ZC44-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for ZC44-0054
  • 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 ZC44-0054 available by request