D481-2230 Screening compound: 3-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxybenzoyl)-1H-1,2,4-triazol-5-amine

D481-2230 Screening compound: 3-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxybenzoyl)-1H-1,2,4-triazol-5-amine
D481-2230 Screening compound: 3-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxybenzoyl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-2230
3-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxybenzoyl)-1H-1,2,4-triazol-5-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

D481-2230

Molecular Formula

C20H22N4O4 (C20 H22 N4 O4)

Compound Name

3-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxybenzoyl)-1H-1,2,4-triazol-5-amine

IUPAC name

3-(34-dimethylphenyl)-1-(345-trimethoxybenzoyl)-1H-124-triazol-5-amine

SMILES

Cc(cc1)c(C)cc1-c1nn(C(c(cc2OC)cc(OC)c2OC)=O)c(N)n1

InChI

InChI=1S/C20H22N4O4/c1-11-6-7-13(8-12(11)2)18-22-20(21)24(23-18)19(25)14-9-15(26-3)17(28-5)16(10-14)27-4/h6-10H,1-5H3,(H2,21,22,23)

InChI Key

NHAUWAAESJPGRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14831764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.307

Distribution Coefficient, logD

3.307

Water Solubility, LogSw

-3.50

Polar Surface Area

80.825

Acid Dissociation Constant (pKa)

19.63

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D481-2230 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with D481-2230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-2230?
Check Price and Availability of D481-2230, 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 D481-2230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-2230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-2230
  • 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 D481-2230 available by request