1786-0077 Screening compound: 4-(tert-butyl)-N~1~-(tetrahydro-2-furanylmethyl)benzamide

1786-0077 Screening compound: 4-(tert-butyl)-N~1~-(tetrahydro-2-furanylmethyl)benzamide
1786-0077 Screening compound: 4-(tert-butyl)-N~1~-(tetrahydro-2-furanylmethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1786-0077
4-(tert-butyl)-N~1~-(tetrahydro-2-furanylmethyl)benzamide

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

1786-0077

Molecular Formula

C16H23NO2 (C16 H23 NO2)

Compound Name

4-(tert-butyl)-N~1~-(tetrahydro-2-furanylmethyl)benzamide

IUPAC name

4-tert-butyl-N-[(oxolan-2-yl)methyl]benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(NCC1OCCC1)=O

InChI

InChI=1S/C16H23NO2/c1-16(2,3)13-8-6-12(7-9-13)15(18)17-11-14-5-4-10-19-14/h6-9,14H,4-5,10-11H2,1-3H3,(H,17,18)/t14-/m1/s1

InChI Key

TWORYSIVMSFUFY-CQSZACIVSA-N

MDL Number (MFCD)

MFCD00686840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.032

Distribution Coefficient, logD

3.032

Water Solubility, LogSw

-3.11

Polar Surface Area

33.306

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

-2.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.25

1786-0077 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 1786-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1786-0077?
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What is the minimum amount of 1786-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1786-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1786-0077
  • 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 1786-0077 available by request