3379-0694 Screening compound: 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-chlorophenyl)-2-iminoimidazolidin-4-one

3379-0694 Screening compound: 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-chlorophenyl)-2-iminoimidazolidin-4-one
3379-0694 Screening compound: 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-chlorophenyl)-2-iminoimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-0694
1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-chlorophenyl)-2-iminoimidazolidin-4-one

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

3379-0694

Molecular Formula

C16H19ClN8O (C16 H19 ClN8 O)

Compound Name

1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-chlorophenyl)-2-iminoimidazolidin-4-one

IUPAC name

1-[46-bis(dimethylamino)-135-triazin-2-yl]-3-(4-chlorophenyl)-2-iminoimidazolidin-4-one

SMILES

CN(C)c1nc(N(CC(N2c(cc3)ccc3Cl)=O)C2=N)nc(N(C)C)n1

InChI

InChI=1S/C16H19ClN8O/c1-22(2)14-19-15(23(3)4)21-16(20-14)24-9-12(26)25(13(24)18)11-7-5-10(17)6-8-11/h5-8,18H,9H2,1-4H3

InChI Key

FRHTZFCGXMPDOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00634505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.100

Distribution Coefficient, logD

2.797

Water Solubility, LogSw

-3.58

Polar Surface Area

68.293

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

3379-0694 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3379-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-0694?
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What is the minimum amount of 3379-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-0694
  • 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 3379-0694 available by request