C612-1324 Screening compound: 6-[(1-benzylpiperidin-4-yl)methyl]-1,3-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

C612-1324 Screening compound: 6-[(1-benzylpiperidin-4-yl)methyl]-1,3-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
C612-1324 Screening compound: 6-[(1-benzylpiperidin-4-yl)methyl]-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 C612-1324
6-[(1-benzylpiperidin-4-yl)methyl]-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

C612-1324

Molecular Formula

C21H29N5O2 (C21 H29 N5 O2)

Compound Name

6-[(1-benzylpiperidin-4-yl)methyl]-1,3-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

IUPAC name

6-[(1-benzylpiperidin-4-yl)methyl]-13-dimethyl-1H2H3H4H5H6H7H8H-[13]diazino[45-d]pyrimidine-24-dione

SMILES

CN(C(C(CN(CC1CCN(Cc2ccccc2)CC1)CN1)=C1N1C)=O)C1=O

InChI

InChI=1S/C21H29N5O2/c1-23-19-18(20(27)24(2)21(23)28)14-26(15-22-19)13-17-8-10-25(11-9-17)12-16-6-4-3-5-7-16/h3-7,17,22H,8-15H2,1-2H3

InChI Key

JXVCSSYECSTHES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.942

Distribution Coefficient, logD

-0.214

Water Solubility, LogSw

-2.26

Polar Surface Area

48.939

Acid Dissociation Constant (pKa)

14.26

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

C612-1324 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C612-1324 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C612-1324 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-1324
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-1324
  • 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 C612-1324 available by request