D092-0171 Screening compound: 2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-(3-methoxyphenyl)acetamido]-N-benzyl-2-(4-methoxyphenyl)acetamide

D092-0171 Screening compound: 2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-(3-methoxyphenyl)acetamido]-N-benzyl-2-(4-methoxyphenyl)acetamide
D092-0171 Screening compound: 2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-(3-methoxyphenyl)acetamido]-N-benzyl-2-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D092-0171
2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-(3-methoxyphenyl)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

D092-0171

Molecular Formula

C31H29N5O4 (C31 H29 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(C(C(NCc2ccccc2)=O)N(C(Cn2nnc3c2cccc3)=O)c2cc(OC)ccc2)cc1

InChI

InChI=1S/C31H29N5O4/c1-39-25-17-15-23(16-18-25)30(31(38)32-20-22-9-4-3-5-10-22)36(24-11-8-12-26(19-24)40-2)29(37)21-35-28-14-7-6-13-27(28)33-34-35/h3-19,30H,20-21H2,1-2H3,(H,32,38)/t30-/m1/s1

InChI Key

ZUTAHJJMRJBGDP-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD03123214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.6

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

4.035

Distribution Coefficient, logD

4.035

Water Solubility, LogSw

-4.34

Polar Surface Area

79.353

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.10

D092-0171 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 D092-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D092-0171?
Check Price and Availability of D092-0171, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D092-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D092-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D092-0171
  • 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 D092-0171 available by request