D092-0108 Screening compound: 2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-[3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]acetamido]-2-(4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]acetamide

D092-0108 Screening compound: 2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-[3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]acetamido]-2-(4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]acetamide
D092-0108 Screening compound: 2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-[3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]acetamido]-2-(4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D092-0108
2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-[3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]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

D092-0108

Molecular Formula

C30H31N9O4 (C30 H31 N9 O4)

Compound Name

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

IUPAC name

2-[2-(1H-123-benzotriazol-1-yl)-N-[3-methyl-4-(1H-1234-tetrazol-1-yl)phenyl]acetamido]-2-(4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]acetamide

SMILES

Cc(cc(cc1)N(C(C(NCC2OCCC2)=O)c(cc2)ccc2OC)C(Cn2nnc3c2cccc3)=O)c1-n1nnnc1

InChI

InChI=1S/C30H31N9O4/c1-20-16-22(11-14-26(20)38-19-32-34-36-38)39(28(40)18-37-27-8-4-3-7-25(27)33-35-37)29(21-9-12-23(42-2)13-10-21)30(41)31-17-24-6-5-15-43-24/h3-4,7-14,16,19,24,29H,5-6,15,17-18H2,1-2H3,(H,31,41)

InChI Key

LVFKPXAAIOVGRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03114436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

581.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

2.674

Distribution Coefficient, logD

2.674

Water Solubility, LogSw

-3.03

Polar Surface Area

119.928

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

D092-0108 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D092-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D092-0108?
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What is the minimum amount of D092-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D092-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D092-0108
  • 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 D092-0108 available by request