D092-0153 Screening compound: 2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-[(pyridin-3-yl)methyl]acetamido]-N-benzyl-2-(4-methoxyphenyl)acetamide

D092-0153 Screening compound: 2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-[(pyridin-3-yl)methyl]acetamido]-N-benzyl-2-(4-methoxyphenyl)acetamide
D092-0153 Screening compound: 2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-[(pyridin-3-yl)methyl]acetamido]-N-benzyl-2-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D092-0153
2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-[(pyridin-3-yl)methyl]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

D092-0153

Molecular Formula

C30H28N6O3 (C30 H28 N6 O3)

Compound Name

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

IUPAC name

2-[2-(1H-123-benzotriazol-1-yl)-N-[(pyridin-3-yl)methyl]acetamido]-N-benzyl-2-(4-methoxyphenyl)acetamide

SMILES

COc1ccc(C(C(NCc2ccccc2)=O)N(Cc2cnccc2)C(Cn2nnc3c2cccc3)=O)cc1

InChI

InChI=1S/C30H28N6O3/c1-39-25-15-13-24(14-16-25)29(30(38)32-19-22-8-3-2-4-9-22)35(20-23-10-7-17-31-18-23)28(37)21-36-27-12-6-5-11-26(27)33-34-36/h2-18,29H,19-21H2,1H3,(H,32,38)/t29-/m1/s1

InChI Key

QIVIQHPTJOGABK-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD03123223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.569

Distribution Coefficient, logD

2.569

Water Solubility, LogSw

-2.37

Polar Surface Area

81.807

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

D092-0153 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D092-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D092-0153?
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What is the minimum amount of D092-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D092-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D092-0153
  • 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 D092-0153 available by request