D107-1101 Screening compound: 3,6,7-trimethyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-benzofuran-2-carboxamide

D107-1101 Screening compound: 3,6,7-trimethyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-benzofuran-2-carboxamide
D107-1101 Screening compound: 3,6,7-trimethyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D107-1101
3,6,7-trimethyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-benzofuran-2-carboxamide

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

D107-1101

Molecular Formula

C20H22N2O3 (C20 H22 N2 O3)

Compound Name

3,6,7-trimethyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-benzofuran-2-carboxamide

IUPAC name

367-trimethyl-N-(5-methyl-4567-tetrahydro-21-benzoxazol-3-yl)-1-benzofuran-2-carboxamide

SMILES

CC1Cc2c(NC(c3c(C)c(ccc(C)c4C)c4o3)=O)onc2CC1

InChI

InChI=1S/C20H22N2O3/c1-10-5-8-16-15(9-10)20(25-22-16)21-19(23)18-13(4)14-7-6-11(2)12(3)17(14)24-18/h6-7,10H,5,8-9H2,1-4H3,(H,21,23)/t10-/m1/s1

InChI Key

DRRLRPNKYQJRPN-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD12918929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.059

Distribution Coefficient, logD

4.921

Water Solubility, LogSw

-4.70

Polar Surface Area

55.598

Acid Dissociation Constant (pKa)

7.83

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

D107-1101 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D107-1101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D107-1101?
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What is the minimum amount of D107-1101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D107-1101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D107-1101
  • 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 D107-1101 available by request