K788-6529 Screening compound: 2-methyl-4-{5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl}-1-(4-methylphenyl)piperazine

K788-6529 Screening compound: 2-methyl-4-{5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl}-1-(4-methylphenyl)piperazine
K788-6529 Screening compound: 2-methyl-4-{5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl}-1-(4-methylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-6529
2-methyl-4-{5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl}-1-(4-methylphenyl)piperazine

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

K788-6529

Molecular Formula

C25H27N5 (C25 H27 N5)

Compound Name

2-methyl-4-{5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl}-1-(4-methylphenyl)piperazine

IUPAC name

2-methyl-4-{5-methyl-2-phenylpyrazolo[15-a]pyrimidin-7-yl}-1-(4-methylphenyl)piperazine

SMILES

CC(CN(CC1)c2cc(C)nc3cc(-c4ccccc4)nn23)N1c1ccc(C)cc1

InChI

InChI=1S/C25H27N5/c1-18-9-11-22(12-10-18)29-14-13-28(17-20(29)3)25-15-19(2)26-24-16-23(27-30(24)25)21-7-5-4-6-8-21/h4-12,15-16,20H,13-14,17H2,1-3H3/t20-/m0/s1

InChI Key

PXAZISXYTPVHTJ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15106552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.482

Distribution Coefficient, logD

3.328

Water Solubility, LogSw

-5.63

Polar Surface Area

24.212

Acid Dissociation Constant (pKa)

25.51

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

K788-6529 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K788-6529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6529?
Check Price and Availability of K788-6529, 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 K788-6529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6529
  • 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 K788-6529 available by request