P642-1027 Screening compound: 1-(4-{5-[4-(propan-2-yl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl}pyridin-2-yl)azepane

P642-1027 Screening compound: 1-(4-{5-[4-(propan-2-yl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl}pyridin-2-yl)azepane
P642-1027 Screening compound: 1-(4-{5-[4-(propan-2-yl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl}pyridin-2-yl)azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound P642-1027
1-(4-{5-[4-(propan-2-yl)piperazine-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

P642-1027

Molecular Formula

C21H30N6O2 (C21 H30 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(CC1)CCN1C(c1nc(-c2cc(N3CCCCCC3)ncc2)no1)=O

InChI

InChI=1S/C21H30N6O2/c1-16(2)25-11-13-27(14-12-25)21(28)20-23-19(24-29-20)17-7-8-22-18(15-17)26-9-5-3-4-6-10-26/h7-8,15-16H,3-6,9-14H2,1-2H3

InChI Key

WGNAZYUBWQXLLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27608957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.705

Distribution Coefficient, logD

3.375

Water Solubility, LogSw

-3.77

Polar Surface Area

64.723

Acid Dissociation Constant (pKa)

24.12

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

P642-1027 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with P642-1027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P642-1027?
Check Price and Availability of P642-1027, 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 P642-1027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P642-1027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P642-1027
  • 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 P642-1027 available by request