D092-0157 Screening compound: 2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-[(furan-2-yl)methyl]acetamido]-N-benzyl-2-(4-fluorophenyl)acetamide

D092-0157 Screening compound: 2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-[(furan-2-yl)methyl]acetamido]-N-benzyl-2-(4-fluorophenyl)acetamide
D092-0157 Screening compound: 2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-[(furan-2-yl)methyl]acetamido]-N-benzyl-2-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D092-0157
2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-[(furan-2-yl)methyl]acetamido]-N-benzyl-2-(4-fluorophenyl)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

D092-0157

Molecular Formula

C28H24FN5O3 (C28 H24 FN5 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cn1nnc2c1cccc2)N(Cc1ccco1)C(C(NCc1ccccc1)=O)c(cc1)ccc1F

InChI

InChI=1S/C28H24FN5O3/c29-22-14-12-21(13-15-22)27(28(36)30-17-20-7-2-1-3-8-20)33(18-23-9-6-16-37-23)26(35)19-34-25-11-5-4-10-24(25)31-32-34/h1-16,27H,17-19H2,(H,30,36)/t27-/m1/s1

InChI Key

VOBDQVQUWFBOAE-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD03123212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.53

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

3.498

Distribution Coefficient, logD

3.498

Water Solubility, LogSw

-3.49

Polar Surface Area

72.494

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

D092-0157 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

SH2 Library (10483 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D092-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D092-0157?
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What is the minimum amount of D092-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D092-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D092-0157
  • 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 D092-0157 available by request