F810-0899 Screening compound: N-(4-butylphenyl)-2-{7-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]quinazolin-2-yl}acetamide

F810-0899 Screening compound: N-(4-butylphenyl)-2-{7-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]quinazolin-2-yl}acetamide
F810-0899 Screening compound: N-(4-butylphenyl)-2-{7-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]quinazolin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F810-0899
N-(4-butylphenyl)-2-{7-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]quinazolin-2-yl}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

F810-0899

Molecular Formula

C22H23N5O2 (C22 H23 N5 O2)

Compound Name

N-(4-butylphenyl)-2-{7-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]quinazolin-2-yl}acetamide

IUPAC name

N-(4-butylphenyl)-2-{7-methyl-3-oxo-2H3H-[124]triazolo[43-c]quinazolin-2-yl}acetamide

SMILES

CCCCc(cc1)ccc1NC(CN1N=C(c(cccc2C)c2N=C2)N2C1=O)=O

InChI

InChI=1S/C22H23N5O2/c1-3-4-7-16-9-11-17(12-10-16)24-19(28)13-27-22(29)26-14-23-20-15(2)6-5-8-18(20)21(26)25-27/h5-6,8-12,14H,3-4,7,13H2,1-2H3,(H,24,28)

InChI Key

ISQVORXIUAAESP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27193151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.457

Distribution Coefficient, logD

4.457

Water Solubility, LogSw

-4.46

Polar Surface Area

62.585

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

F810-0899 in Drug Discovery

Included in Screening Libraries

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F810-0899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F810-0899?
Check Price and Availability of F810-0899, 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 F810-0899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F810-0899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F810-0899
  • 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 F810-0899 available by request