S253-1071 Screening compound: (3-exo)-8-(1,3-oxazol-4-ylcarbonyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane

S253-1071 Screening compound: (3-exo)-8-(1,3-oxazol-4-ylcarbonyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane
S253-1071 Screening compound: (3-exo)-8-(1,3-oxazol-4-ylcarbonyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound S253-1071
(3-exo)-8-(1,3-oxazol-4-ylcarbonyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane

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

S253-1071

Molecular Formula

C18H17N5O3 (C18 H17 N5 O3)

Compound Name

(3-exo)-8-(1,3-oxazol-4-ylcarbonyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane

IUPAC name

(1R3R5S)-8-(13-oxazole-4-carbonyl)-3-[3-(pyridin-4-yl)-124-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octane

SMILES

O=C(c1cocn1)N([C@@H](CC1)C2)[C@H]1C[C@H]2c1nc(-c2ccncc2)no1

InChI

InChI=1S/C18H17N5O3/c24-18(15-9-25-10-20-15)23-13-1-2-14(23)8-12(7-13)17-21-16(22-26-17)11-3-5-19-6-4-11/h3-6,9-10,12-14H,1-2,7-8H2/t12-,13+,14-

InChI Key

FJOIYANCGIWIFL-BTTYYORXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.447

Distribution Coefficient, logD

1.447

Water Solubility, LogSw

-1.19

Polar Surface Area

73.922

Acid Dissociation Constant (pKa)

24.22

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.89

S253-1071 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S253-1071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S253-1071?
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What is the minimum amount of S253-1071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S253-1071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S253-1071
  • 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 S253-1071 available by request