D092-0134 Screening compound: 2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-(4-fluorophenyl)acetamido]-2-(4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]acetamide

D092-0134 Screening compound: 2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-(4-fluorophenyl)acetamido]-2-(4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]acetamide
D092-0134 Screening compound: 2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-(4-fluorophenyl)acetamido]-2-(4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D092-0134
2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-(4-fluorophenyl)acetamido]-2-(4-methoxyphenyl)-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

D092-0134

Molecular Formula

C28H28FN5O4 (C28 H28 FN5 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(C(C(NCC2OCCC2)=O)N(C(Cn2nnc3c2cccc3)=O)c(cc2)ccc2F)cc1

InChI

InChI=1S/C28H28FN5O4/c1-37-22-14-8-19(9-15-22)27(28(36)30-17-23-5-4-16-38-23)34(21-12-10-20(29)11-13-21)26(35)18-33-25-7-3-2-6-24(25)31-32-33/h2-3,6-15,23,27H,4-5,16-18H2,1H3,(H,30,36)

InChI Key

ZWHNMPYSIWIFIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03114432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.761

Distribution Coefficient, logD

2.761

Water Solubility, LogSw

-3.09

Polar Surface Area

80.463

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

D092-0134 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 D092-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D092-0134?
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What is the minimum amount of D092-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D092-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D092-0134
  • 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 D092-0134 available by request