C470-0416 Screening compound: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(morpholin-4-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0416 Screening compound: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(morpholin-4-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0416 Screening compound: 7-[(2,4-dichlorophenyl)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 C470-0416
7-[(2,4-dichlorophenyl)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

C470-0416

Molecular Formula

C19H21Cl2N5O3 (C19 H21 Cl2 N5 O3)

Compound Name

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

IUPAC name

7-[(24-dichlorophenyl)methyl]-13-dimethyl-8-[(morpholin-4-yl)methyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(Cc(ccc(Cl)c3)c3Cl)c(CN3CCOCC3)n1)C2=O

InChI

InChI=1S/C19H21Cl2N5O3/c1-23-17-16(18(27)24(2)19(23)28)26(10-12-3-4-13(20)9-14(12)21)15(22-17)11-25-5-7-29-8-6-25/h3-4,9H,5-8,10-11H2,1-2H3

InChI Key

RNQJVOZYORZMII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.31

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

3.014

Distribution Coefficient, logD

3.013

Water Solubility, LogSw

-3.37

Polar Surface Area

55.322

Acid Dissociation Constant (pKa)

21.31

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

C470-0416 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C470-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0416?
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What is the minimum amount of C470-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0416
  • 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 C470-0416 available by request