P510-0646 Screening compound: methyl 4-{1-[6-(thiomorpholin-4-yl)pyrimidin-4-yl]piperidine-4-amido}benzoate

P510-0646 Screening compound: methyl 4-{1-[6-(thiomorpholin-4-yl)pyrimidin-4-yl]piperidine-4-amido}benzoate
P510-0646 Screening compound: methyl 4-{1-[6-(thiomorpholin-4-yl)pyrimidin-4-yl]piperidine-4-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P510-0646
methyl 4-{1-[6-(thiomorpholin-4-yl)pyrimidin-4-yl]piperidine-4-amido}benzoate

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

P510-0646

Molecular Formula

C22H27N5O3S (C22 H27 N5 O3 S)

Compound Name

methyl 4-{1-[6-(thiomorpholin-4-yl)pyrimidin-4-yl]piperidine-4-amido}benzoate

IUPAC name

methyl 4-{1-[6-(thiomorpholin-4-yl)pyrimidin-4-yl]piperidine-4-amido}benzoate

SMILES

COC(c(cc1)ccc1NC(C(CC1)CCN1c1cc(N2CCSCC2)ncn1)=O)=O

InChI

InChI=1S/C22H27N5O3S/c1-30-22(29)17-2-4-18(5-3-17)25-21(28)16-6-8-26(9-7-16)19-14-20(24-15-23-19)27-10-12-31-13-11-27/h2-5,14-16H,6-13H2,1H3,(H,25,28)

InChI Key

YUVGYAVJNHYFOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27577851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.756

Distribution Coefficient, logD

3.739

Water Solubility, LogSw

-3.96

Polar Surface Area

70.145

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

6.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

P510-0646 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P510-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P510-0646?
Check Price and Availability of P510-0646, 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 P510-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P510-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P510-0646
  • 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 P510-0646 available by request