C692-0372 Screening compound: 7-[(2-chlorophenyl)methyl]-3-methyl-8-[(morpholin-4-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C692-0372 Screening compound: 7-[(2-chlorophenyl)methyl]-3-methyl-8-[(morpholin-4-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C692-0372 Screening compound: 7-[(2-chlorophenyl)methyl]-3-methyl-8-[(morpholin-4-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C692-0372
7-[(2-chlorophenyl)methyl]-3-methyl-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

C692-0372

Molecular Formula

C18H20ClN5O3 (C18 H20 ClN5 O3)

Compound Name

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

IUPAC name

7-[(2-chlorophenyl)methyl]-3-methyl-8-[(morpholin-4-yl)methyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2)=O)n(Cc(cccc3)c3Cl)c(CN3CCOCC3)n1)C2=O

InChI

InChI=1S/C18H20ClN5O3/c1-22-16-15(17(25)21-18(22)26)24(10-12-4-2-3-5-13(12)19)14(20-16)11-23-6-8-27-9-7-23/h2-5H,6-11H2,1H3,(H,21,25,26)

InChI Key

HRFBIYHWLSPWLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05713992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.849

Distribution Coefficient, logD

1.846

Water Solubility, LogSw

-2.66

Polar Surface Area

64.236

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

C692-0372 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 C692-0372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C692-0372?
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What is the minimum amount of C692-0372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C692-0372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C692-0372
  • 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 C692-0372 available by request