P578-2007 Screening compound: 4-{6-[4-(4-cyclohexylpiperazine-1-carbonyl)-1H-imidazol-1-yl]pyrimidin-4-yl}thiomorpholine

P578-2007 Screening compound: 4-{6-[4-(4-cyclohexylpiperazine-1-carbonyl)-1H-imidazol-1-yl]pyrimidin-4-yl}thiomorpholine
P578-2007 Screening compound: 4-{6-[4-(4-cyclohexylpiperazine-1-carbonyl)-1H-imidazol-1-yl]pyrimidin-4-yl}thiomorpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound P578-2007
4-{6-[4-(4-cyclohexylpiperazine-1-carbonyl)-1H-imidazol-1-yl]pyrimidin-4-yl}thiomorpholine

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

P578-2007

Molecular Formula

C22H31N7OS (C22 H31 N7 OS)

Compound Name

4-{6-[4-(4-cyclohexylpiperazine-1-carbonyl)-1H-imidazol-1-yl]pyrimidin-4-yl}thiomorpholine

IUPAC name

4-{6-[4-(4-cyclohexylpiperazine-1-carbonyl)-1H-imidazol-1-yl]pyrimidin-4-yl}thiomorpholine

SMILES

O=C(c(nc1)cn1-c1cc(N2CCSCC2)ncn1)N(CC1)CCN1C1CCCCC1

InChI

InChI=1S/C22H31N7OS/c30-22(28-8-6-26(7-9-28)18-4-2-1-3-5-18)19-15-29(17-25-19)21-14-20(23-16-24-21)27-10-12-31-13-11-27/h14-18H,1-13H2

InChI Key

XDACGBPDGYSLQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27605514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.6

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

3.394

Distribution Coefficient, logD

3.231

Water Solubility, LogSw

-3.65

Polar Surface Area

54.408

Acid Dissociation Constant (pKa)

23.11

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

P578-2007 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 P578-2007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P578-2007?
Check Price and Availability of P578-2007, 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 P578-2007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P578-2007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P578-2007
  • 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 P578-2007 available by request