D386-1112 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}propan-1-one

D386-1112 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}propan-1-one
D386-1112 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D386-1112
1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(pyridin-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

D386-1112

Molecular Formula

C18H16N4O2S (C18 H16 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(N(CC1)c2c1cccc2)=O)Sc1nnc(-c2cnccc2)o1

InChI

InChI=1S/C18H16N4O2S/c1-12(17(23)22-10-8-13-5-2-3-7-15(13)22)25-18-21-20-16(24-18)14-6-4-9-19-11-14/h2-7,9,11-12H,8,10H2,1H3/t12-/m0/s1

InChI Key

PGPLYOLONZJHLI-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD07666618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.42

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

2.344

Distribution Coefficient, logD

2.326

Water Solubility, LogSw

-2.01

Polar Surface Area

55.532

Acid Dissociation Constant (pKa)

16.30

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

D386-1112 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D386-1112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D386-1112?
Check Price and Availability of D386-1112, 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 D386-1112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D386-1112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D386-1112
  • 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 D386-1112 available by request