K785-0551 Screening compound: 6-[(3-bromophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

K785-0551 Screening compound: 6-[(3-bromophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
K785-0551 Screening compound: 6-[(3-bromophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K785-0551
6-[(3-bromophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

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

K785-0551

Molecular Formula

C22H25BrN4O (C22 H25 BrN4 O)

Compound Name

6-[(3-bromophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

IUPAC name

6-[(3-bromophenyl)methyl]-N-cyclohexyl-57-dimethylpyrazolo[15-a]pyrimidine-3-carboxamide

SMILES

Cc(n1nc2)c(Cc3cccc(Br)c3)c(C)nc1c2C(NC1CCCCC1)=O

InChI

InChI=1S/C22H25BrN4O/c1-14-19(12-16-7-6-8-17(23)11-16)15(2)27-21(25-14)20(13-24-27)22(28)26-18-9-4-3-5-10-18/h6-8,11,13,18H,3-5,9-10,12H2,1-2H3,(H,26,28)

InChI Key

HFXFDHULOQQDOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.170

Distribution Coefficient, logD

5.170

Water Solubility, LogSw

-4.83

Polar Surface Area

44.630

Acid Dissociation Constant (pKa)

14.58

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

K785-0551 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K785-0551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K785-0551?
Check Price and Availability of K785-0551, 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 K785-0551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K785-0551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K785-0551
  • 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 K785-0551 available by request