C470-0225 Screening compound: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-[(morpholin-4-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0225 Screening compound: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-[(morpholin-4-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0225 Screening compound: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-[(morpholin-4-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0225
7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-[(morpholin-4-yl)methyl]-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

C470-0225

Molecular Formula

C19H21ClFN5O3 (C19 H21 ClFN5 O3)

Compound Name

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

IUPAC name

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

SMILES

CN(c1c(C(N2C)=O)n(Cc(c(F)ccc3)c3Cl)c(CN3CCOCC3)n1)C2=O

InChI

InChI=1S/C19H21ClFN5O3/c1-23-17-16(18(27)24(2)19(23)28)26(10-12-13(20)4-3-5-14(12)21)15(22-17)11-25-6-8-29-9-7-25/h3-5H,6-11H2,1-2H3

InChI Key

VTOPQWDZPCSPOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04006678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.86

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

2.256

Distribution Coefficient, logD

2.255

Water Solubility, LogSw

-2.93

Polar Surface Area

55.322

Acid Dissociation Constant (pKa)

21.78

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

C470-0225 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C470-0225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0225?
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What is the minimum amount of C470-0225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0225
  • 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 C470-0225 available by request