8388-0195 Screening compound: tert-butyl 2-(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate

8388-0195 Screening compound: tert-butyl 2-(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate
8388-0195 Screening compound: tert-butyl 2-(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8388-0195
tert-butyl 2-(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate

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

8388-0195

Molecular Formula

C19H22ClN3O4S (C19 H22 ClN3 O4 S)

Compound Name

tert-butyl 2-(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate

IUPAC name

tert-butyl (2S)-2-(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-134-oxadiazol-2-yl)pyrrolidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CCC1)[C@@H]1c(o1)nnc1SCC(c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C19H22ClN3O4S/c1-19(2,3)27-18(25)23-10-4-5-14(23)16-21-22-17(26-16)28-11-15(24)12-6-8-13(20)9-7-12/h6-9,14H,4-5,10-11H2,1-3H3/t14-/m0/s1

InChI Key

ZCLVNKGDLRJDLT-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.92

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.775

Distribution Coefficient, logD

3.775

Water Solubility, LogSw

-4.47

Polar Surface Area

65.453

Acid Dissociation Constant (pKa)

17.17

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

8388-0195 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8388-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8388-0195?
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What is the minimum amount of 8388-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8388-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8388-0195
  • 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 8388-0195 available by request