F470-0097 Screening compound: 2-(carbamoylmethyl)-N-cyclopentyl-1,5-dioxo-4-propyl-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F470-0097 Screening compound: 2-(carbamoylmethyl)-N-cyclopentyl-1,5-dioxo-4-propyl-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F470-0097 Screening compound: 2-(carbamoylmethyl)-N-cyclopentyl-1,5-dioxo-4-propyl-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F470-0097
2-(carbamoylmethyl)-N-cyclopentyl-1,5-dioxo-4-propyl-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

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

F470-0097

Molecular Formula

C20H24N6O4 (C20 H24 N6 O4)

Compound Name

2-(carbamoylmethyl)-N-cyclopentyl-1,5-dioxo-4-propyl-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

IUPAC name

2-(carbamoylmethyl)-N-cyclopentyl-15-dioxo-4-propyl-1H2H4H5H-[124]triazolo[43-a]quinazoline-8-carboxamide

SMILES

CCCN(C(N1c2c3ccc(C(NC4CCCC4)=O)c2)=NN(CC(N)=O)C1=O)C3=O

InChI

InChI=1S/C20H24N6O4/c1-2-9-24-18(29)14-8-7-12(17(28)22-13-5-3-4-6-13)10-15(14)26-19(24)23-25(20(26)30)11-16(21)27/h7-8,10,13H,2-6,9,11H2,1H3,(H2,21,27)(H,22,28)

InChI Key

SCLREXMJAOAPNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27131546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.889

Distribution Coefficient, logD

0.889

Water Solubility, LogSw

-2.51

Polar Surface Area

106.349

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

F470-0097 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F470-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F470-0097?
Check Price and Availability of F470-0097, 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 F470-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F470-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F470-0097
  • 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 F470-0097 available by request