D092-0139 Screening compound: 2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-[2-(3-methylphenyl)ethyl]acetamido]-2-(4-fluorophenyl)-N-[(oxolan-2-yl)methyl]acetamide

D092-0139 Screening compound: 2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-[2-(3-methylphenyl)ethyl]acetamido]-2-(4-fluorophenyl)-N-[(oxolan-2-yl)methyl]acetamide
D092-0139 Screening compound: 2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-[2-(3-methylphenyl)ethyl]acetamido]-2-(4-fluorophenyl)-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D092-0139
2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-[2-(3-methylphenyl)ethyl]acetamido]-2-(4-fluorophenyl)-N-[(oxolan-2-yl)methyl]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

D092-0139

Molecular Formula

C30H32FN5O3 (C30 H32 FN5 O3)

Compound Name

2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-[2-(3-methylphenyl)ethyl]acetamido]-2-(4-fluorophenyl)-N-[(oxolan-2-yl)methyl]acetamide

IUPAC name

2-[2-(1H-123-benzotriazol-1-yl)-N-[2-(3-methylphenyl)ethyl]acetamido]-2-(4-fluorophenyl)-N-[(oxolan-2-yl)methyl]acetamide

SMILES

Cc1cccc(CCN(C(C(NCC2OCCC2)=O)c(cc2)ccc2F)C(Cn2nnc3c2cccc3)=O)c1

InChI

InChI=1S/C30H32FN5O3/c1-21-6-4-7-22(18-21)15-16-35(28(37)20-36-27-10-3-2-9-26(27)33-34-36)29(23-11-13-24(31)14-12-23)30(38)32-19-25-8-5-17-39-25/h2-4,6-7,9-14,18,25,29H,5,8,15-17,19-20H2,1H3,(H,32,38)

InChI Key

MBARMTRSKRMBDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03114441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.864

Distribution Coefficient, logD

3.864

Water Solubility, LogSw

-3.82

Polar Surface Area

73.378

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

D092-0139 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with D092-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D092-0139?
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What is the minimum amount of D092-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D092-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D092-0139
  • 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 D092-0139 available by request