8249-3666 Screening compound: 1-[(4-chlorophenyl)methyl]-5-[2-(1H-imidazol-4-yl)ethyl]-4-methyl-2-phenyl-1H,2H,3H,5H,6H-pyrazolo[4,3-c]pyridine-3,6-dione

8249-3666 Screening compound: 1-[(4-chlorophenyl)methyl]-5-[2-(1H-imidazol-4-yl)ethyl]-4-methyl-2-phenyl-1H,2H,3H,5H,6H-pyrazolo[4,3-c]pyridine-3,6-dione
8249-3666 Screening compound: 1-[(4-chlorophenyl)methyl]-5-[2-(1H-imidazol-4-yl)ethyl]-4-methyl-2-phenyl-1H,2H,3H,5H,6H-pyrazolo[4,3-c]pyridine-3,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8249-3666
1-[(4-chlorophenyl)methyl]-5-[2-(1H-imidazol-4-yl)ethyl]-4-methyl-2-phenyl-1H,2H,3H,5H,6H-pyrazolo[4,3-c]pyridine-3,6-dione

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

8249-3666

Molecular Formula

C25H22ClN5O2 (C25 H22 ClN5 O2)

Compound Name

1-[(4-chlorophenyl)methyl]-5-[2-(1H-imidazol-4-yl)ethyl]-4-methyl-2-phenyl-1H,2H,3H,5H,6H-pyrazolo[4,3-c]pyridine-3,6-dione

IUPAC name

1-[(4-chlorophenyl)methyl]-5-[2-(1H-imidazol-4-yl)ethyl]-4-methyl-2-phenyl-1H2H3H5H6H-pyrazolo[43-c]pyridine-36-dione

SMILES

CC(N(CCc1c[nH]cn1)C(C=C1N(Cc(cc2)ccc2Cl)N2c3ccccc3)=O)=C1C2=O

InChI

InChI=1S/C25H22ClN5O2/c1-17-24-22(13-23(32)29(17)12-11-20-14-27-16-28-20)30(15-18-7-9-19(26)10-8-18)31(25(24)33)21-5-3-2-4-6-21/h2-10,13-14,16H,11-12,15H2,1H3,(H,27,28)

InChI Key

RQLIJUQDJIWPSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06754545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.163

Distribution Coefficient, logD

3.155

Water Solubility, LogSw

-3.56

Polar Surface Area

56.490

Acid Dissociation Constant (pKa)

14.02

Base Dissociation Constant (pKb)

5.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

8249-3666 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 8249-3666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8249-3666?
Check Price and Availability of 8249-3666, 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 8249-3666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8249-3666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8249-3666
  • 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 8249-3666 available by request