D092-0170 Screening compound: 2-[N-(2H-1,3-benzodioxol-5-yl)-2-(1H-1,2,3-benzotriazol-1-yl)acetamido]-N-benzyl-2-(4-methoxyphenyl)acetamide

D092-0170 Screening compound: 2-[N-(2H-1,3-benzodioxol-5-yl)-2-(1H-1,2,3-benzotriazol-1-yl)acetamido]-N-benzyl-2-(4-methoxyphenyl)acetamide
D092-0170 Screening compound: 2-[N-(2H-1,3-benzodioxol-5-yl)-2-(1H-1,2,3-benzotriazol-1-yl)acetamido]-N-benzyl-2-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D092-0170
2-[N-(2H-1,3-benzodioxol-5-yl)-2-(1H-1,2,3-benzotriazol-1-yl)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

D092-0170

Molecular Formula

C31H27N5O5 (C31 H27 N5 O5)

Compound Name

2-[N-(2H-1,3-benzodioxol-5-yl)-2-(1H-1,2,3-benzotriazol-1-yl)acetamido]-N-benzyl-2-(4-methoxyphenyl)acetamide

IUPAC name

2-[N-(2H-13-benzodioxol-5-yl)-2-(1H-123-benzotriazol-1-yl)acetamido]-N-benzyl-2-(4-methoxyphenyl)acetamide

SMILES

COc1ccc(C(C(NCc2ccccc2)=O)N(C(Cn2nnc3c2cccc3)=O)c(cc2)cc3c2OCO3)cc1

InChI

InChI=1S/C31H27N5O5/c1-39-24-14-11-22(12-15-24)30(31(38)32-18-21-7-3-2-4-8-21)36(23-13-16-27-28(17-23)41-20-40-27)29(37)19-35-26-10-6-5-9-25(26)33-34-35/h2-17,30H,18-20H2,1H3,(H,32,38)/t30-/m1/s1

InChI Key

PKKZCSWUHSESTM-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD03123216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.827

Distribution Coefficient, logD

3.827

Water Solubility, LogSw

-4.11

Polar Surface Area

88.925

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.10

D092-0170 in Drug Discovery

Included in Screening Libraries

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 D092-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D092-0170?
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What is the minimum amount of D092-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D092-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D092-0170
  • 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 D092-0170 available by request