D481-1948 Screening compound: 3-(4-fluorophenyl)-1-(3,4,5-trimethoxybenzoyl)-1H-1,2,4-triazol-5-amine

D481-1948 Screening compound: 3-(4-fluorophenyl)-1-(3,4,5-trimethoxybenzoyl)-1H-1,2,4-triazol-5-amine
D481-1948 Screening compound: 3-(4-fluorophenyl)-1-(3,4,5-trimethoxybenzoyl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-1948
3-(4-fluorophenyl)-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

D481-1948

Molecular Formula

C18H17FN4O4 (C18 H17 FN4 O4)

Compound Name

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

IUPAC name

3-(4-fluorophenyl)-1-(345-trimethoxybenzoyl)-1H-124-triazol-5-amine

SMILES

COc1cc(C(n2nc(-c(cc3)ccc3F)nc2N)=O)cc(OC)c1OC

InChI

InChI=1S/C18H17FN4O4/c1-25-13-8-11(9-14(26-2)15(13)27-3)17(24)23-18(20)21-16(22-23)10-4-6-12(19)7-5-10/h4-9H,1-3H3,(H2,20,21,22)

InChI Key

DZFSDQRMJQFPIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14831687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.36

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

2.352

Distribution Coefficient, logD

2.352

Water Solubility, LogSw

-2.95

Polar Surface Area

80.825

Acid Dissociation Constant (pKa)

19.63

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D481-1948 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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 D481-1948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-1948?
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What is the minimum amount of D481-1948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-1948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-1948
  • 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 D481-1948 available by request