C612-1277 Screening compound: 6-benzyl-1,3-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

C612-1277 Screening compound: 6-benzyl-1,3-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
C612-1277 Screening compound: 6-benzyl-1,3-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-1277
6-benzyl-1,3-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-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

C612-1277

Molecular Formula

C15H18N4O2 (C15 H18 N4 O2)

Compound Name

6-benzyl-1,3-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

IUPAC name

6-benzyl-13-dimethyl-1H2H3H4H5H6H7H8H-[13]diazino[45-d]pyrimidine-24-dione

SMILES

CN(C(C(CN(Cc1ccccc1)CN1)=C1N1C)=O)C1=O

InChI

InChI=1S/C15H18N4O2/c1-17-13-12(14(20)18(2)15(17)21)9-19(10-16-13)8-11-6-4-3-5-7-11/h3-7,16H,8-10H2,1-2H3

InChI Key

OTLBIOOKYHLHSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03372768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.262

Distribution Coefficient, logD

1.204

Water Solubility, LogSw

-1.83

Polar Surface Area

45.206

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

6.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C612-1277 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C612-1277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-1277?
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What is the minimum amount of C612-1277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-1277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-1277
  • 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 C612-1277 available by request