8388-0186 Screening compound: tert-butyl 2-(5-{[(4-bromophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate

8388-0186 Screening compound: tert-butyl 2-(5-{[(4-bromophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate
8388-0186 Screening compound: tert-butyl 2-(5-{[(4-bromophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8388-0186
tert-butyl 2-(5-{[(4-bromophenyl)methyl]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

8388-0186

Molecular Formula

C18H22BrN3O3S (C18 H22 BrN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)OC(N(CCC1)[C@@H]1c(o1)nnc1SCc(cc1)ccc1Br)=O

InChI

InChI=1S/C18H22BrN3O3S/c1-18(2,3)25-17(23)22-10-4-5-14(22)15-20-21-16(24-15)26-11-12-6-8-13(19)9-7-12/h6-9,14H,4-5,10-11H2,1-3H3/t14-/m0/s1

InChI Key

HXVZJFQXSGFRAY-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.212

Distribution Coefficient, logD

4.212

Water Solubility, LogSw

-4.19

Polar Surface Area

52.206

Acid Dissociation Constant (pKa)

24.21

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

8388-0186 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 8388-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8388-0186?
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What is the minimum amount of 8388-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8388-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8388-0186
  • 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 8388-0186 available by request