P047-0304 Screening compound: 6-(azepane-1-sulfonyl)-2-(3-methylbutyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

P047-0304 Screening compound: 6-(azepane-1-sulfonyl)-2-(3-methylbutyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
P047-0304 Screening compound: 6-(azepane-1-sulfonyl)-2-(3-methylbutyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P047-0304
6-(azepane-1-sulfonyl)-2-(3-methylbutyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

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

P047-0304

Molecular Formula

C17H26N4O3S (C17 H26 N4 O3 S)

Compound Name

6-(azepane-1-sulfonyl)-2-(3-methylbutyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

IUPAC name

6-(azepane-1-sulfonyl)-2-(3-methylbutyl)-2H3H-[124]triazolo[43-a]pyridin-3-one

SMILES

CC(C)CCN1N=C(C=CC(S(N2CCCCCC2)(=O)=O)=C2)N2C1=O

InChI

InChI=1S/C17H26N4O3S/c1-14(2)9-12-21-17(22)20-13-15(7-8-16(20)18-21)25(23,24)19-10-5-3-4-6-11-19/h7-8,13-14H,3-6,9-12H2,1-2H3

InChI Key

QBFJUQUAKXKZQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.835

Distribution Coefficient, logD

2.835

Water Solubility, LogSw

-3.14

Polar Surface Area

65.092

Acid Dissociation Constant (pKa)

25.00

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.70

References: we are preparing a list of scientific research reports with P047-0304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P047-0304?
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What is the minimum amount of P047-0304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P047-0304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P047-0304
  • 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 P047-0304 available by request