1996-0100 Screening compound: 4-[(2E)-2-[(1-methyl-1H-indol-3-yl)methylidene]hydrazin-1-yl]-N-phenyl-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine

1996-0100 Screening compound: 4-[(2E)-2-[(1-methyl-1H-indol-3-yl)methylidene]hydrazin-1-yl]-N-phenyl-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
1996-0100 Screening compound: 4-[(2E)-2-[(1-methyl-1H-indol-3-yl)methylidene]hydrazin-1-yl]-N-phenyl-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1996-0100
4-[(2E)-2-[(1-methyl-1H-indol-3-yl)methylidene]hydrazin-1-yl]-N-phenyl-6-(pyrrolidin-1-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

1996-0100

Molecular Formula

C23H24N8 (C23 H24 N8)

Compound Name

4-[(2E)-2-[(1-methyl-1H-indol-3-yl)methylidene]hydrazin-1-yl]-N-phenyl-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine

IUPAC name

4-[(2E)-2-[(1-methyl-1H-indol-3-yl)methylidene]hydrazin-1-yl]-N-phenyl-6-(pyrrolidin-1-yl)-135-triazin-2-amine

SMILES

Cn1c(cccc2)c2c(/C=N/Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)c1

InChI

InChI=1S/C23H24N8/c1-30-16-17(19-11-5-6-12-20(19)30)15-24-29-22-26-21(25-18-9-3-2-4-10-18)27-23(28-22)31-13-7-8-14-31/h2-6,9-12,15-16H,7-8,13-14H2,1H3,(H2,25,26,27,28,29)

InChI Key

DIBZDTYDUUHEKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01152168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.914

Distribution Coefficient, logD

5.913

Water Solubility, LogSw

-5.79

Polar Surface Area

67.728

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with 1996-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1996-0100?
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What is the minimum amount of 1996-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1996-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1996-0100
  • 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 1996-0100 available by request