P634-0126 Screening compound: 1-(azepan-1-yl)-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl}propan-1-one

P634-0126 Screening compound: 1-(azepan-1-yl)-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl}propan-1-one
P634-0126 Screening compound: 1-(azepan-1-yl)-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P634-0126
1-(azepan-1-yl)-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl}propan-1-one

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

P634-0126

Molecular Formula

C21H35N5O (C21 H35 N5 O)

Compound Name

1-(azepan-1-yl)-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl}propan-1-one

IUPAC name

1-(azepan-1-yl)-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl}propan-1-one

SMILES

CCCNc1cc(N2CC(CCC(N3CCCCCC3)=O)CCC2)ncn1

InChI

InChI=1S/C21H35N5O/c1-2-11-22-19-15-20(24-17-23-19)26-14-7-8-18(16-26)9-10-21(27)25-12-5-3-4-6-13-25/h15,17-18H,2-14,16H2,1H3,(H,22,23,24)/t18-/m1/s1

InChI Key

PWAATPZDIUSYDR-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27607728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.068

Distribution Coefficient, logD

4.066

Water Solubility, LogSw

-3.92

Polar Surface Area

50.264

Acid Dissociation Constant (pKa)

18.54

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.20

P634-0126 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune 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 P634-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P634-0126?
Check Price and Availability of P634-0126, 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 P634-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P634-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P634-0126
  • 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 P634-0126 available by request