8012-9323 Screening compound: 1-[2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[(furan-2-yl)methyl]acetamido]-N-(4-methoxyphenyl)cyclohexane-1-carboxamide

8012-9323 Screening compound: 1-[2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[(furan-2-yl)methyl]acetamido]-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
8012-9323 Screening compound: 1-[2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[(furan-2-yl)methyl]acetamido]-N-(4-methoxyphenyl)cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9323
1-[2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[(furan-2-yl)methyl]acetamido]-N-(4-methoxyphenyl)cyclohexane-1-carboxamide

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

8012-9323

Molecular Formula

C23H28N6O4 (C23 H28 N6 O4)

Compound Name

1-[2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[(furan-2-yl)methyl]acetamido]-N-(4-methoxyphenyl)cyclohexane-1-carboxamide

IUPAC name

1-[2-(3-amino-1H-124-triazol-5-yl)-N-[(furan-2-yl)methyl]acetamido]-N-(4-methoxyphenyl)cyclohexane-1-carboxamide

SMILES

COc(cc1)ccc1NC(C1(CCCCC1)N(Cc1ccco1)C(Cc1nc(N)n[nH]1)=O)=O

InChI

InChI=1S/C23H28N6O4/c1-32-17-9-7-16(8-10-17)25-21(31)23(11-3-2-4-12-23)29(15-18-6-5-13-33-18)20(30)14-19-26-22(24)28-27-19/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,25,31)(H3,24,26,27,28)

InChI Key

QNYAGZSIHOOOKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.285

Distribution Coefficient, logD

3.285

Water Solubility, LogSw

-3.63

Polar Surface Area

108.775

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

8012-9323 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8012-9323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9323?
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What is the minimum amount of 8012-9323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9323
  • 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 8012-9323 available by request