S253-1103 Screening compound: (3-exo)-N-(2,5-difluorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide

S253-1103 Screening compound: (3-exo)-N-(2,5-difluorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide
S253-1103 Screening compound: (3-exo)-N-(2,5-difluorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S253-1103
(3-exo)-N-(2,5-difluorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide

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

S253-1103

Molecular Formula

C21H19F2N5O2 (C21 H19 F2 N5 O2)

Compound Name

(3-exo)-N-(2,5-difluorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide

IUPAC name

(1R3R5S)-N-(25-difluorophenyl)-3-[3-(pyridin-4-yl)-124-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide

SMILES

O=C(Nc(cc(cc1)F)c1F)N([C@@H](CC1)C2)[C@H]1C[C@H]2c1nc(-c2ccncc2)no1

InChI

InChI=1S/C21H19F2N5O2/c22-14-1-4-17(23)18(11-14)25-21(29)28-15-2-3-16(28)10-13(9-15)20-26-19(27-30-20)12-5-7-24-8-6-12/h1,4-8,11,13,15-16H,2-3,9-10H2,(H,25,29)/t13-,15+,16-

InChI Key

UVRQOEHFWCEUEK-RBVVOMGSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.729

Distribution Coefficient, logD

3.729

Water Solubility, LogSw

-3.90

Polar Surface Area

64.716

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.33

S253-1103 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S253-1103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S253-1103?
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What is the minimum amount of S253-1103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S253-1103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S253-1103
  • 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 S253-1103 available by request