P642-1037 Screening compound: 1-{4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]pyridin-2-yl}azepane

P642-1037 Screening compound: 1-{4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]pyridin-2-yl}azepane
P642-1037 Screening compound: 1-{4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]pyridin-2-yl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound P642-1037
1-{4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]pyridin-2-yl}azepane

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

P642-1037

Molecular Formula

C18H23N5O2 (C18 H23 N5 O2)

Compound Name

1-{4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]pyridin-2-yl}azepane

IUPAC name

1-{4-[5-(pyrrolidine-1-carbonyl)-124-oxadiazol-3-yl]pyridin-2-yl}azepane

SMILES

O=C(c1nc(-c2cc(N3CCCCCC3)ncc2)no1)N1CCCC1

InChI

InChI=1S/C18H23N5O2/c24-18(23-11-5-6-12-23)17-20-16(21-25-17)14-7-8-19-15(13-14)22-9-3-1-2-4-10-22/h7-8,13H,1-6,9-12H2

InChI Key

AJCLFOOXLRXDLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27608960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.764

Distribution Coefficient, logD

3.757

Water Solubility, LogSw

-3.86

Polar Surface Area

61.225

Acid Dissociation Constant (pKa)

24.12

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

P642-1037 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P642-1037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P642-1037?
Check Price and Availability of P642-1037, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P642-1037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P642-1037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P642-1037
  • 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 P642-1037 available by request