8388-0780 Screening compound: 1-(4-chlorophenyl)-2-{[5-(pyrrolidin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one

8388-0780 Screening compound: 1-(4-chlorophenyl)-2-{[5-(pyrrolidin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
8388-0780 Screening compound: 1-(4-chlorophenyl)-2-{[5-(pyrrolidin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8388-0780
1-(4-chlorophenyl)-2-{[5-(pyrrolidin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-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

8388-0780

Molecular Formula

C14H14ClN3O2S (C14 H14 ClN3 O2 S)

Compound Name

1-(4-chlorophenyl)-2-{[5-(pyrrolidin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one

IUPAC name

1-(4-chlorophenyl)-2-({5-[(2S)-pyrrolidin-2-yl]-134-oxadiazol-2-yl}sulfanyl)ethan-1-one

SMILES

O=C(CSc1nnc([C@H]2NCCC2)o1)c(cc1)ccc1Cl

InChI

InChI=1S/C14H14ClN3O2S/c15-10-5-3-9(4-6-10)12(19)8-21-14-18-17-13(20-14)11-2-1-7-16-11/h3-6,11,16H,1-2,7-8H2/t11-/m0/s1

InChI Key

JSSYVYCZAYIYLB-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.8

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.681

Distribution Coefficient, logD

-0.279

Water Solubility, LogSw

-2.66

Polar Surface Area

55.982

Acid Dissociation Constant (pKa)

17.17

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

8388-0780 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8388-0780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8388-0780?
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What is the minimum amount of 8388-0780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8388-0780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8388-0780
  • 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 8388-0780 available by request