P047-0202 Screening compound: tert-butyl 2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetate

P047-0202 Screening compound: tert-butyl 2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetate
P047-0202 Screening compound: tert-butyl 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 P047-0202
tert-butyl 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

P047-0202

Molecular Formula

C18H26N4O5S (C18 H26 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1S(C(C=CC1=NN2CC(OC(C)(C)C)=O)=CN1C2=O)(=O)=O

InChI

InChI=1S/C18H26N4O5S/c1-13-7-9-20(10-8-13)28(25,26)14-5-6-15-19-22(17(24)21(15)11-14)12-16(23)27-18(2,3)4/h5-6,11,13H,7-10,12H2,1-4H3

InChI Key

OLXJJNPGNCYUBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.49

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

2.161

Distribution Coefficient, logD

2.161

Water Solubility, LogSw

-2.11

Polar Surface Area

84.050

Acid Dissociation Constant (pKa)

19.93

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

P047-0202 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 P047-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P047-0202?
Check Price and Availability of P047-0202, 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 P047-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P047-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P047-0202
  • 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 P047-0202 available by request