P047-0185 Screening compound: propan-2-yl 2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetate

P047-0185 Screening compound: propan-2-yl 2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetate
P047-0185 Screening compound: propan-2-yl 2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound P047-0185
propan-2-yl 2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetate

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

P047-0185

Molecular Formula

C17H24N4O5S (C17 H24 N4 O5 S)

Compound Name

propan-2-yl 2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetate

IUPAC name

propan-2-yl 2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-2H3H-[124]triazolo[43-a]pyridin-2-yl}acetate

SMILES

CC(C)OC(CN1N=C(C=CC(S(N2CCC(C)CC2)(=O)=O)=C2)N2C1=O)=O

InChI

InChI=1S/C17H24N4O5S/c1-12(2)26-16(22)11-21-17(23)20-10-14(4-5-15(20)18-21)27(24,25)19-8-6-13(3)7-9-19/h4-5,10,12-13H,6-9,11H2,1-3H3

InChI Key

KFZAFHLGFVTWHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.480

Distribution Coefficient, logD

1.480

Water Solubility, LogSw

-1.88

Polar Surface Area

84.620

Acid Dissociation Constant (pKa)

19.35

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

P047-0185 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P047-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P047-0185?
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What is the minimum amount of P047-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P047-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P047-0185
  • 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 P047-0185 available by request