D481-1849 Screening compound: 1-(4-fluorobenzoyl)-3-(2-methylphenyl)-1H-1,2,4-triazol-5-amine

D481-1849 Screening compound: 1-(4-fluorobenzoyl)-3-(2-methylphenyl)-1H-1,2,4-triazol-5-amine
D481-1849 Screening compound: 1-(4-fluorobenzoyl)-3-(2-methylphenyl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-1849
1-(4-fluorobenzoyl)-3-(2-methylphenyl)-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

D481-1849

Molecular Formula

C16H13FN4O (C16 H13 FN4 O)

Compound Name

1-(4-fluorobenzoyl)-3-(2-methylphenyl)-1H-1,2,4-triazol-5-amine

IUPAC name

1-(4-fluorobenzoyl)-3-(2-methylphenyl)-1H-124-triazol-5-amine

SMILES

Cc(cccc1)c1-c1nn(C(c(cc2)ccc2F)=O)c(N)n1

InChI

InChI=1S/C16H13FN4O/c1-10-4-2-3-5-13(10)14-19-16(18)21(20-14)15(22)11-6-8-12(17)9-7-11/h2-9H,1H3,(H2,18,19,20)

InChI Key

ROMHHOOCJPCWCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14831634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.720

Distribution Coefficient, logD

2.720

Water Solubility, LogSw

-3.11

Polar Surface Area

57.847

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with D481-1849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-1849?
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What is the minimum amount of D481-1849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-1849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-1849
  • 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 D481-1849 available by request