C695-0099 Screening compound: 6-[2-(4-bromophenyl)-2-oxoethyl]-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

C695-0099 Screening compound: 6-[2-(4-bromophenyl)-2-oxoethyl]-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
C695-0099 Screening compound: 6-[2-(4-bromophenyl)-2-oxoethyl]-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C695-0099
6-[2-(4-bromophenyl)-2-oxoethyl]-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

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

C695-0099

Molecular Formula

C24H21BrN6O2 (C24 H21 BrN6 O2)

Compound Name

6-[2-(4-bromophenyl)-2-oxoethyl]-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

IUPAC name

6-[2-(4-bromophenyl)-2-oxoethyl]-2-[2-(35-dimethyl-1H-pyrazol-1-yl)ethyl]-5H6H-[124]triazolo[15-c]quinazolin-5-one

SMILES

Cc1cc(C)nn1CCc(nc1-c(cccc2)c2N2CC(c(cc3)ccc3Br)=O)nn1C2=O

InChI

InChI=1S/C24H21BrN6O2/c1-15-13-16(2)30(27-15)12-11-22-26-23-19-5-3-4-6-20(19)29(24(33)31(23)28-22)14-21(32)17-7-9-18(25)10-8-17/h3-10,13H,11-12,14H2,1-2H3

InChI Key

RIEFGJXHFPZUDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.230

Distribution Coefficient, logD

3.228

Water Solubility, LogSw

-3.67

Polar Surface Area

67.318

Acid Dissociation Constant (pKa)

17.29

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

C695-0099 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C695-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C695-0099?
Check Price and Availability of C695-0099, 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 C695-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C695-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C695-0099
  • 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 C695-0099 available by request