D092-0112 Screening compound: 2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-[3-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]acetamido]-2-(3-methoxyphenyl)-N-[(oxolan-2-yl)methyl]acetamide

D092-0112 Screening compound: 2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-[3-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]acetamido]-2-(3-methoxyphenyl)-N-[(oxolan-2-yl)methyl]acetamide
D092-0112 Screening compound: 2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-[3-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]acetamido]-2-(3-methoxyphenyl)-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D092-0112
2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-[3-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]acetamido]-2-(3-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

D092-0112

Molecular Formula

C30H31N9O5 (C30 H31 N9 O5)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(C(C(NCC2OCCC2)=O)N(C(Cn2nnc3c2cccc3)=O)c(cc2)cc(OC)c2-n2nnnc2)c1

InChI

InChI=1S/C30H31N9O5/c1-42-22-8-5-7-20(15-22)29(30(41)31-17-23-9-6-14-44-23)39(28(40)18-37-25-11-4-3-10-24(25)33-35-37)21-12-13-26(27(16-21)43-2)38-19-32-34-36-38/h3-5,7-8,10-13,15-16,19,23,29H,6,9,14,17-18H2,1-2H3,(H,31,41)

InChI Key

UGFDSKRIBKKXLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03114489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

597.63

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

2.217

Distribution Coefficient, logD

2.217

Water Solubility, LogSw

-2.94

Polar Surface Area

127.558

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

D092-0112 in Drug Discovery

Included in Screening Libraries

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

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 D092-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of D092-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D092-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D092-0112
  • 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 D092-0112 available by request