D092-0073 Screening compound: 2-[N-(3,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido]-N-(3-methylbutyl)butanamide

D092-0073 Screening compound: 2-[N-(3,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido]-N-(3-methylbutyl)butanamide
D092-0073 Screening compound: 2-[N-(3,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido]-N-(3-methylbutyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D092-0073
2-[N-(3,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido]-N-(3-methylbutyl)butanamide

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

D092-0073

Molecular Formula

C27H36N6O4 (C27 H36 N6 O4)

Compound Name

2-[N-(3,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido]-N-(3-methylbutyl)butanamide

IUPAC name

2-[N-(34-dimethoxyphenyl)-2-[5-(4-methylphenyl)-2H-1234-tetrazol-2-yl]acetamido]-N-(3-methylbutyl)butanamide

SMILES

CCC(C(NCCC(C)C)=O)N(C(Cn1nnc(-c2ccc(C)cc2)n1)=O)c(cc1)cc(OC)c1OC

InChI

InChI=1S/C27H36N6O4/c1-7-22(27(35)28-15-14-18(2)3)33(21-12-13-23(36-5)24(16-21)37-6)25(34)17-32-30-26(29-31-32)20-10-8-19(4)9-11-20/h8-13,16,18,22H,7,14-15,17H2,1-6H3,(H,28,35)/t22-/m0/s1

InChI Key

LUTXLXCUXBHPSU-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03121025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.129

Distribution Coefficient, logD

4.129

Water Solubility, LogSw

-4.14

Polar Surface Area

92.552

Acid Dissociation Constant (pKa)

13.74

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

D092-0073 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 D092-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D092-0073?
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What is the minimum amount of D092-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D092-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D092-0073
  • 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 D092-0073 available by request