C692-0334 Screening compound: 8-[(2,6-dimethylmorpholin-4-yl)methyl]-7-[(2-fluorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C692-0334 Screening compound: 8-[(2,6-dimethylmorpholin-4-yl)methyl]-7-[(2-fluorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C692-0334 Screening compound: 8-[(2,6-dimethylmorpholin-4-yl)methyl]-7-[(2-fluorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C692-0334
8-[(2,6-dimethylmorpholin-4-yl)methyl]-7-[(2-fluorophenyl)methyl]-3-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

C692-0334

Molecular Formula

C20H24FN5O3 (C20 H24 FN5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC1OC(C)CN(Cc2nc(N(C)C(NC3=O)=O)c3n2Cc(cccc2)c2F)C1

InChI

InChI=1S/C20H24FN5O3/c1-12-8-25(9-13(2)29-12)11-16-22-18-17(19(27)23-20(28)24(18)3)26(16)10-14-6-4-5-7-15(14)21/h4-7,12-13H,8-11H2,1-3H3,(H,23,27,28)

InChI Key

DSTGEAUCFZISPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06401667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.44

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

1.903

Distribution Coefficient, logD

1.901

Water Solubility, LogSw

-2.53

Polar Surface Area

63.259

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.00

C692-0334 in Drug Discovery

Included in Screening Libraries

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 C692-0334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C692-0334?
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What is the minimum amount of C692-0334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C692-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C692-0334
  • 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 C692-0334 available by request