8004-1837 Screening compound: 4-[(2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-N-(2,5-dimethylphenyl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine

8004-1837 Screening compound: 4-[(2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-N-(2,5-dimethylphenyl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
8004-1837 Screening compound: 4-[(2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-N-(2,5-dimethylphenyl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-1837
4-[(2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-N-(2,5-dimethylphenyl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine

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

8004-1837

Molecular Formula

C23H25N7O3 (C23 H25 N7 O3)

Compound Name

4-[(2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-N-(2,5-dimethylphenyl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine

IUPAC name

4-[(2E)-2-[(2H-13-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-N-(25-dimethylphenyl)-6-(morpholin-4-yl)-135-triazin-2-amine

SMILES

Cc1cc(Nc2nc(N3CCOCC3)nc(N/N=C/c(cc3)cc4c3OCO4)n2)c(C)cc1

InChI

InChI=1S/C23H25N7O3/c1-15-3-4-16(2)18(11-15)25-21-26-22(28-23(27-21)30-7-9-31-10-8-30)29-24-13-17-5-6-19-20(12-17)33-14-32-19/h3-6,11-13H,7-10,14H2,1-2H3,(H2,25,26,27,28,29)

InChI Key

XIIMQYIJKFIVQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00323317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.208

Distribution Coefficient, logD

5.206

Water Solubility, LogSw

-5.10

Polar Surface Area

89.128

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

5.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with 8004-1837 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-1837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-1837
  • 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 8004-1837 available by request