D474-0197 Screening compound: N-{4-[4-(4-tert-butylphenyl)-1-methyl-3-oxo-2-phenyl-1H,2H,3H,5H-pyrrolo[3,4-c]pyrazol-5-yl]phenyl}acetamide

D474-0197 Screening compound: N-{4-[4-(4-tert-butylphenyl)-1-methyl-3-oxo-2-phenyl-1H,2H,3H,5H-pyrrolo[3,4-c]pyrazol-5-yl]phenyl}acetamide
D474-0197 Screening compound: N-{4-[4-(4-tert-butylphenyl)-1-methyl-3-oxo-2-phenyl-1H,2H,3H,5H-pyrrolo[3,4-c]pyrazol-5-yl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D474-0197
N-{4-[4-(4-tert-butylphenyl)-1-methyl-3-oxo-2-phenyl-1H,2H,3H,5H-pyrrolo[3,4-c]pyrazol-5-yl]phenyl}acetamide

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

D474-0197

Molecular Formula

C30H30N4O2 (C30 H30 N4 O2)

Compound Name

N-{4-[4-(4-tert-butylphenyl)-1-methyl-3-oxo-2-phenyl-1H,2H,3H,5H-pyrrolo[3,4-c]pyrazol-5-yl]phenyl}acetamide

IUPAC name

N-{4-[4-(4-tert-butylphenyl)-1-methyl-3-oxo-2-phenyl-1H2H3H5H-pyrrolo[34-c]pyrazol-5-yl]phenyl}acetamide

SMILES

CC(C)(C)c(cc1)ccc1-c(n(cc1N(C)N2c3ccccc3)-c(cc3)ccc3NC(C)=O)c1C2=O

InChI

InChI=1S/C30H30N4O2/c1-20(35)31-23-15-17-24(18-16-23)33-19-26-27(28(33)21-11-13-22(14-12-21)30(2,3)4)29(36)34(32(26)5)25-9-7-6-8-10-25/h6-19H,1-5H3,(H,31,35)

InChI Key

QCWFILKNBRSUHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.548

Distribution Coefficient, logD

5.548

Water Solubility, LogSw

-5.51

Polar Surface Area

44.628

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D474-0197 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D474-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D474-0197?
Check Price and Availability of D474-0197, 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 D474-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D474-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D474-0197
  • 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 D474-0197 available by request