D092-0155 Screening compound: 2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-(4-fluorophenyl)acetamido]-N-benzyl-2-(4-methoxyphenyl)acetamide

D092-0155 Screening compound: 2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-(4-fluorophenyl)acetamido]-N-benzyl-2-(4-methoxyphenyl)acetamide
D092-0155 Screening compound: 2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-(4-fluorophenyl)acetamido]-N-benzyl-2-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D092-0155
2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-(4-fluorophenyl)acetamido]-N-benzyl-2-(4-methoxyphenyl)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

D092-0155

Molecular Formula

C30H26FN5O3 (C30 H26 FN5 O3)

Compound Name

2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-(4-fluorophenyl)acetamido]-N-benzyl-2-(4-methoxyphenyl)acetamide

IUPAC name

2-[2-(1H-123-benzotriazol-1-yl)-N-(4-fluorophenyl)acetamido]-N-benzyl-2-(4-methoxyphenyl)acetamide

SMILES

COc1ccc(C(C(NCc2ccccc2)=O)N(C(Cn2nnc3c2cccc3)=O)c(cc2)ccc2F)cc1

InChI

InChI=1S/C30H26FN5O3/c1-39-25-17-11-22(12-18-25)29(30(38)32-19-21-7-3-2-4-8-21)36(24-15-13-23(31)14-16-24)28(37)20-35-27-10-6-5-9-26(27)33-34-35/h2-18,29H,19-20H2,1H3,(H,32,38)/t29-/m1/s1

InChI Key

VMHCNYJULULNTH-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD03123217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.885

Distribution Coefficient, logD

3.885

Water Solubility, LogSw

-4.14

Polar Surface Area

71.809

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

D092-0155 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CORONAVIRUS Library (20774 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D092-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D092-0155?
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What is the minimum amount of D092-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D092-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D092-0155
  • 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 D092-0155 available by request