8016-8195 Screening compound: 1-{4-[3-(1H-1,2,3-benzotriazol-1-yl)-2-hydroxypropoxy]phenyl}-1-propanone

8016-8195 Screening compound: 1-{4-[3-(1H-1,2,3-benzotriazol-1-yl)-2-hydroxypropoxy]phenyl}-1-propanone
8016-8195 Screening compound: 1-{4-[3-(1H-1,2,3-benzotriazol-1-yl)-2-hydroxypropoxy]phenyl}-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8195
1-{4-[3-(1H-1,2,3-benzotriazol-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

8016-8195

Molecular Formula

C18H19N3O3 (C18 H19 N3 O3)

Compound Name

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

IUPAC name

1-{4-[3-(1H-123-benzotriazol-1-yl)-2-hydroxypropoxy]phenyl}propan-1-one

SMILES

CCC(c(cc1)ccc1OCC(Cn1nnc2c1cccc2)O)=O

InChI

InChI=1S/C18H19N3O3/c1-2-18(23)13-7-9-15(10-8-13)24-12-14(22)11-21-17-6-4-3-5-16(17)19-20-21/h3-10,14,22H,2,11-12H2,1H3/t14-/m0/s1

InChI Key

RSDZCMGWNPQCQD-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD05859455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.37

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

2.312

Distribution Coefficient, logD

2.312

Water Solubility, LogSw

-2.47

Polar Surface Area

63.030

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.78

8016-8195 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-8195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8195?
Check Price and Availability of 8016-8195, 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 8016-8195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8195
  • 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 8016-8195 available by request