D107-1082 Screening compound: 2-ethyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide

D107-1082 Screening compound: 2-ethyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide
D107-1082 Screening compound: 2-ethyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D107-1082
2-ethyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide

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

D107-1082

Molecular Formula

C14H22N2O2 (C14 H22 N2 O2)

Compound Name

2-ethyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide

IUPAC name

2-ethyl-N-(5-methyl-4567-tetrahydro-21-benzoxazol-3-yl)butanamide

SMILES

CCC(CC)C(Nc1c(CC(C)CC2)c2no1)=O

InChI

InChI=1S/C14H22N2O2/c1-4-10(5-2)13(17)15-14-11-8-9(3)6-7-12(11)16-18-14/h9-10H,4-8H2,1-3H3,(H,15,17)/t9-/m1/s1

InChI Key

IQQDFCAOKZOZTG-SECBINFHSA-N

MDL Number (MFCD)

MFCD08547384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.184

Distribution Coefficient, logD

3.128

Water Solubility, LogSw

-3.33

Polar Surface Area

47.110

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.40

D107-1082 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Targeted Diversity Library (40567 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D107-1082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D107-1082?
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What is the minimum amount of D107-1082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D107-1082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D107-1082
  • 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 D107-1082 available by request