8388-0759 Screening compound: 2-{[(naphthalen-1-yl)methyl]sulfanyl}-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole

8388-0759 Screening compound: 2-{[(naphthalen-1-yl)methyl]sulfanyl}-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole
8388-0759 Screening compound: 2-{[(naphthalen-1-yl)methyl]sulfanyl}-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8388-0759
2-{[(naphthalen-1-yl)methyl]sulfanyl}-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole

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

8388-0759

Molecular Formula

C17H17N3OS (C17 H17 N3 OS)

Compound Name

2-{[(naphthalen-1-yl)methyl]sulfanyl}-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole

IUPAC name

2-{[(naphthalen-1-yl)methyl]sulfanyl}-5-[(2S)-pyrrolidin-2-yl]-134-oxadiazole

SMILES

C(c1cccc2ccccc12)Sc1nnc([C@H]2NCCC2)o1

InChI

InChI=1S/C17H17N3OS/c1-2-8-14-12(5-1)6-3-7-13(14)11-22-17-20-19-16(21-17)15-9-4-10-18-15/h1-3,5-8,15,18H,4,9-11H2/t15-/m0/s1

InChI Key

YUBPAXVEDMECCL-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.792

Distribution Coefficient, logD

0.831

Water Solubility, LogSw

-2.55

Polar Surface Area

42.463

Acid Dissociation Constant (pKa)

23.49

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

8388-0759 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8388-0759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8388-0759?
Check Price and Availability of 8388-0759, 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 8388-0759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8388-0759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8388-0759
  • 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 8388-0759 available by request