C561-0898 Screening compound: 3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(pyridin-3-yl)-1H-1,3-benzodiazol-6-yl]propanamide

C561-0898 Screening compound: 3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(pyridin-3-yl)-1H-1,3-benzodiazol-6-yl]propanamide
C561-0898 Screening compound: 3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(pyridin-3-yl)-1H-1,3-benzodiazol-6-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-0898
3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(pyridin-3-yl)-1H-1,3-benzodiazol-6-yl]propanamide

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

C561-0898

Molecular Formula

C29H24ClN7O (C29 H24 ClN7 O)

Compound Name

3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(pyridin-3-yl)-1H-1,3-benzodiazol-6-yl]propanamide

IUPAC name

3-[2-(4-chlorophenyl)-57-dimethylpyrazolo[15-a]pyrimidin-6-yl]-N-[2-(pyridin-3-yl)-1H-13-benzodiazol-6-yl]propanamide

SMILES

Cc1c(CCC(Nc(cc2)cc3c2nc(-c2cnccc2)[nH]3)=O)c(C)nc2cc(-c(cc3)ccc3Cl)nn12

InChI

InChI=1S/C29H24ClN7O/c1-17-23(18(2)37-27(32-17)15-25(36-37)19-5-7-21(30)8-6-19)10-12-28(38)33-22-9-11-24-26(14-22)35-29(34-24)20-4-3-13-31-16-20/h3-9,11,13-16H,10,12H2,1-2H3,(H,33,38)(H,34,35)

InChI Key

KQVSSWVZVHYXPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14770502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.199

Distribution Coefficient, logD

5.175

Water Solubility, LogSw

-5.70

Polar Surface Area

71.136

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

References: we are preparing a list of scientific research reports with C561-0898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-0898?
Check Price and Availability of C561-0898, 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 C561-0898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-0898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-0898
  • 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 C561-0898 available by request