G868-0535 Screening compound: 2-(4-{[1,1'-biphenyl]-4-carbonyl}piperazin-1-yl)-4-methyl-6-(pyrrolidin-1-yl)pyrimidine

G868-0535 Screening compound: 2-(4-{[1,1'-biphenyl]-4-carbonyl}piperazin-1-yl)-4-methyl-6-(pyrrolidin-1-yl)pyrimidine
G868-0535 Screening compound: 2-(4-{[1,1'-biphenyl]-4-carbonyl}piperazin-1-yl)-4-methyl-6-(pyrrolidin-1-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound G868-0535
2-(4-{[1,1'-biphenyl]-4-carbonyl}piperazin-1-yl)-4-methyl-6-(pyrrolidin-1-yl)pyrimidine

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

G868-0535

Molecular Formula

C26H29N5O (C26 H29 N5 O)

Compound Name

2-(4-{[1,1'-biphenyl]-4-carbonyl}piperazin-1-yl)-4-methyl-6-(pyrrolidin-1-yl)pyrimidine

IUPAC name

2-(4-{[11'-biphenyl]-4-carbonyl}piperazin-1-yl)-4-methyl-6-(pyrrolidin-1-yl)pyrimidine

SMILES

Cc1nc(N(CC2)CCN2C(c(cc2)ccc2-c2ccccc2)=O)nc(N2CCCC2)c1

InChI

InChI=1S/C26H29N5O/c1-20-19-24(29-13-5-6-14-29)28-26(27-20)31-17-15-30(16-18-31)25(32)23-11-9-22(10-12-23)21-7-3-2-4-8-21/h2-4,7-12,19H,5-6,13-18H2,1H3

InChI Key

YRVILSGZYMIVHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09237880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.156

Distribution Coefficient, logD

5.128

Water Solubility, LogSw

-5.16

Polar Surface Area

40.462

Acid Dissociation Constant (pKa)

21.00

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

G868-0535 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with G868-0535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G868-0535?
Check Price and Availability of G868-0535, 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 G868-0535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G868-0535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G868-0535
  • 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 G868-0535 available by request