8016-0319 Screening compound: 1-{4-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl}-1-propanone

8016-0319 Screening compound: 1-{4-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl}-1-propanone
8016-0319 Screening compound: 1-{4-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl}-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0319
1-{4-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl}-1-propanone

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

8016-0319

Molecular Formula

C16H21N3O3 (C16 H21 N3 O3)

Compound Name

1-{4-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl}-1-propanone

IUPAC name

1-{4-[3-(35-dimethyl-1H-124-triazol-1-yl)-2-hydroxypropoxy]phenyl}propan-1-one

SMILES

CCC(c(cc1)ccc1OCC(Cn1nc(C)nc1C)O)=O

InChI

InChI=1S/C16H21N3O3/c1-4-16(21)13-5-7-15(8-6-13)22-10-14(20)9-19-12(3)17-11(2)18-19/h5-8,14,20H,4,9-10H2,1-3H3/t14-/m0/s1

InChI Key

KQLMUQRIORDATQ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD05259809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.167

Distribution Coefficient, logD

1.167

Water Solubility, LogSw

-2.12

Polar Surface Area

61.780

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

References: we are preparing a list of scientific research reports with 8016-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0319?
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What is the minimum amount of 8016-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0319
  • 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 8016-0319 available by request