D386-1031 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}propan-1-one

D386-1031 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}propan-1-one
D386-1031 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D386-1031
1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}propan-1-one

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

D386-1031

Molecular Formula

C18H17N3O3S (C18 H17 N3 O3 S)

Compound Name

1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}propan-1-one

IUPAC name

1-(23-dihydro-1H-indol-1-yl)-2-{[5-(2-methylfuran-3-yl)-134-oxadiazol-2-yl]sulfanyl}propan-1-one

SMILES

CC(C(N(CC1)c2c1cccc2)=O)Sc1nnc(-c2c(C)occ2)o1

InChI

InChI=1S/C18H17N3O3S/c1-11-14(8-10-23-11)16-19-20-18(24-16)25-12(2)17(22)21-9-7-13-5-3-4-6-15(13)21/h3-6,8,10,12H,7,9H2,1-2H3/t12-/m0/s1

InChI Key

GQGNEMNNZZWMOL-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD11712048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.963

Distribution Coefficient, logD

2.963

Water Solubility, LogSw

-3.42

Polar Surface Area

54.247

Acid Dissociation Constant (pKa)

16.30

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

D386-1031 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Antibacterial Compounds Library (13827 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Immune system
  • animal
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D386-1031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D386-1031?
Check Price and Availability of D386-1031, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D386-1031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D386-1031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D386-1031
  • 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 D386-1031 available by request