C470-0226 Screening compound: 7-[(2-chloro-6-fluorophenyl)methyl]-8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0226 Screening compound: 7-[(2-chloro-6-fluorophenyl)methyl]-8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0226 Screening compound: 7-[(2-chloro-6-fluorophenyl)methyl]-8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0226
7-[(2-chloro-6-fluorophenyl)methyl]-8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-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

C470-0226

Molecular Formula

C21H25ClFN5O3 (C21 H25 ClFN5 O3)

Compound Name

7-[(2-chloro-6-fluorophenyl)methyl]-8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[(2-chloro-6-fluorophenyl)methyl]-8-[(26-dimethylmorpholin-4-yl)methyl]-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CC1OC(C)CN(Cc2nc(N(C)C(N(C)C3=O)=O)c3n2Cc(c(F)ccc2)c2Cl)C1

InChI

InChI=1S/C21H25ClFN5O3/c1-12-8-27(9-13(2)31-12)11-17-24-19-18(20(29)26(4)21(30)25(19)3)28(17)10-14-15(22)6-5-7-16(14)23/h5-7,12-13H,8-11H2,1-4H3

InChI Key

GCCQPAUKLTVVHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.653

Distribution Coefficient, logD

2.653

Water Solubility, LogSw

-3.31

Polar Surface Area

54.345

Acid Dissociation Constant (pKa)

21.78

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.60

C470-0226 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 C470-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0226?
Check Price and Availability of C470-0226, 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 C470-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0226
  • 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 C470-0226 available by request