D092-0082 Screening compound: N-tert-butyl-2-[N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido]-2-(4-hydroxyphenyl)acetamide

D092-0082 Screening compound: N-tert-butyl-2-[N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido]-2-(4-hydroxyphenyl)acetamide
D092-0082 Screening compound: N-tert-butyl-2-[N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido]-2-(4-hydroxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D092-0082
N-tert-butyl-2-[N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido]-2-(4-hydroxyphenyl)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

D092-0082

Molecular Formula

C28H29FN6O3 (C28 H29 FN6 O3)

Compound Name

N-tert-butyl-2-[N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido]-2-(4-hydroxyphenyl)acetamide

IUPAC name

N-tert-butyl-2-[N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-2H-1234-tetrazol-2-yl]acetamido]-2-(4-hydroxyphenyl)acetamide

SMILES

CC(C)(C)NC(C(c(cc1)ccc1O)N(C(Cn1nnc(-c2ccc(C)cc2)n1)=O)c(cc1)ccc1F)=O

InChI

InChI=1S/C28H29FN6O3/c1-18-5-7-20(8-6-18)26-31-33-34(32-26)17-24(37)35(22-13-11-21(29)12-14-22)25(27(38)30-28(2,3)4)19-9-15-23(36)16-10-19/h5-16,25,36H,17H2,1-4H3,(H,30,38)/t25-/m1/s1

InChI Key

APVPTCYWKOSODX-RUZDIDTESA-N

MDL Number (MFCD)

MFCD03120869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.546

Distribution Coefficient, logD

4.545

Water Solubility, LogSw

-4.30

Polar Surface Area

93.655

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D092-0082 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D092-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D092-0082?
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What is the minimum amount of D092-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D092-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D092-0082
  • 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 D092-0082 available by request