8012-4978 Screening compound: bis[(3,4-diethoxyphenyl)methyl]-4H-1,2,4-triazol-4-amine

8012-4978 Screening compound: bis[(3,4-diethoxyphenyl)methyl]-4H-1,2,4-triazol-4-amine
8012-4978 Screening compound: bis[(3,4-diethoxyphenyl)methyl]-4H-1,2,4-triazol-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4978
bis[(3,4-diethoxyphenyl)methyl]-4H-1,2,4-triazol-4-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

8012-4978

Molecular Formula

C24H32N4O4 (C24 H32 N4 O4)

Compound Name

bis[(3,4-diethoxyphenyl)methyl]-4H-1,2,4-triazol-4-amine

IUPAC name

bis[(34-diethoxyphenyl)methyl]-4H-124-triazol-4-amine

SMILES

CCOc(ccc(Cc1nnc(Cc(cc2)cc(OCC)c2OCC)n1N)c1)c1OCC

InChI

InChI=1S/C24H32N4O4/c1-5-29-19-11-9-17(13-21(19)31-7-3)15-23-26-27-24(28(23)25)16-18-10-12-20(30-6-2)22(14-18)32-8-4/h9-14H,5-8,15-16,25H2,1-4H3

InChI Key

AFLRNRMRKDHSIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03017912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.276

Distribution Coefficient, logD

2.276

Water Solubility, LogSw

-2.48

Polar Surface Area

72.351

Acid Dissociation Constant (pKa)

20.99

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

8012-4978 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-4978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4978?
Check Price and Availability of 8012-4978, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8012-4978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4978
  • 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 8012-4978 available by request