8602-0436 Screening compound: 1-(2-fluorophenyl)-6-(propan-2-yl)-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

8602-0436 Screening compound: 1-(2-fluorophenyl)-6-(propan-2-yl)-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
8602-0436 Screening compound: 1-(2-fluorophenyl)-6-(propan-2-yl)-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8602-0436
1-(2-fluorophenyl)-6-(propan-2-yl)-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-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

8602-0436

Molecular Formula

C15H17FN4O2 (C15 H17 FN4 O2)

Compound Name

1-(2-fluorophenyl)-6-(propan-2-yl)-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

IUPAC name

1-(2-fluorophenyl)-6-(propan-2-yl)-1H2H3H4H5H6H7H8H-[13]diazino[45-d]pyrimidine-24-dione

SMILES

CC(C)N(C1)CNC(N(c(cccc2)c2F)C(N2)=O)=C1C2=O

InChI

InChI=1S/C15H17FN4O2/c1-9(2)19-7-10-13(17-8-19)20(15(22)18-14(10)21)12-6-4-3-5-11(12)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,21,22)

InChI Key

CCCRLIWXAQNYGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08098358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.442

Distribution Coefficient, logD

1.284

Water Solubility, LogSw

-2.23

Polar Surface Area

53.494

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

7.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8602-0436 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8602-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8602-0436?
Check Price and Availability of 8602-0436, 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 8602-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8602-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8602-0436
  • 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 8602-0436 available by request