D092-0109 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-[4-(dimethylamino)phenyl]-N-[(oxolan-2-yl)methyl]acetamide

D092-0109 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-[4-(dimethylamino)phenyl]-N-[(oxolan-2-yl)methyl]acetamide
D092-0109 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-[4-(dimethylamino)phenyl]-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D092-0109
2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-[3-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]acetamido]-2-[4-(dimethylamino)phenyl]-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

D092-0109

Molecular Formula

C31H34N10O4 (C31 H34 N10 O4)

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-[4-(dimethylamino)phenyl]-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-[4-(dimethylamino)phenyl]-N-[(oxolan-2-yl)methyl]acetamide

SMILES

CN(C)c1ccc(C(C(NCC2OCCC2)=O)N(C(Cn2nnc3c2cccc3)=O)c(cc2)cc(OC)c2-n2nnnc2)cc1

InChI

InChI=1S/C31H34N10O4/c1-38(2)22-12-10-21(11-13-22)30(31(43)32-18-24-7-6-16-45-24)41(29(42)19-39-26-9-5-4-8-25(26)34-36-39)23-14-15-27(28(17-23)44-3)40-20-33-35-37-40/h4-5,8-15,17,20,24,30H,6-7,16,18-19H2,1-3H3,(H,32,43)

InChI Key

LLSNDFSZEGXCSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03127513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

610.68

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

2.287

Distribution Coefficient, logD

2.272

Water Solubility, LogSw

-3.05

Polar Surface Area

122.819

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.30

D092-0109 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 D092-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D092-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D092-0109
  • 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 D092-0109 available by request