0777-2625 Screening compound: 5-heptyl-2-{4'-pentyl-[1,1'-biphenyl]-4-yl}pyrimidine

0777-2625 Screening compound: 5-heptyl-2-{4'-pentyl-[1,1'-biphenyl]-4-yl}pyrimidine
0777-2625 Screening compound: 5-heptyl-2-{4'-pentyl-[1,1'-biphenyl]-4-yl}pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0777-2625
5-heptyl-2-{4'-pentyl-[1,1'-biphenyl]-4-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

0777-2625

Molecular Formula

C28H36N2 (C28 H36 N2)

Compound Name

5-heptyl-2-{4'-pentyl-[1,1'-biphenyl]-4-yl}pyrimidine

IUPAC name

5-heptyl-2-{4'-pentyl-[11'-biphenyl]-4-yl}pyrimidine

SMILES

CCCCCCCc1cnc(-c(cc2)ccc2-c2ccc(CCCCC)cc2)nc1

InChI

InChI=1S/C28H36N2/c1-3-5-7-8-10-12-24-21-29-28(30-22-24)27-19-17-26(18-20-27)25-15-13-23(14-16-25)11-9-6-4-2/h13-22H,3-12H2,1-2H3

InChI Key

QYJJROFGMOETRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.61

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

9.919

Distribution Coefficient, logD

9.919

Water Solubility, LogSw

-5.99

Polar Surface Area

19.310

Acid Dissociation Constant (pKa)

21.09

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

0777-2625 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0777-2625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0777-2625?
Check Price and Availability of 0777-2625, 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 0777-2625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0777-2625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0777-2625
  • 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 0777-2625 available by request