P047-0248 Screening compound: tert-butyl 2-[3-oxo-6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate

P047-0248 Screening compound: tert-butyl 2-[3-oxo-6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate
P047-0248 Screening compound: tert-butyl 2-[3-oxo-6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound P047-0248
tert-butyl 2-[3-oxo-6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-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

P047-0248

Molecular Formula

C21H24N4O5S (C21 H24 N4 O5 S)

Compound Name

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

IUPAC name

tert-butyl 2-[3-oxo-6-(1234-tetrahydroisoquinoline-2-sulfonyl)-2H3H-[124]triazolo[43-a]pyridin-2-yl]acetate

SMILES

CC(C)(C)OC(CN1N=C(C=CC(S(N(CC2)Cc3c2cccc3)(=O)=O)=C2)N2C1=O)=O

InChI

InChI=1S/C21H24N4O5S/c1-21(2,3)30-19(26)14-25-20(27)24-13-17(8-9-18(24)22-25)31(28,29)23-11-10-15-6-4-5-7-16(15)12-23/h4-9,13H,10-12,14H2,1-3H3

InChI Key

NMTZZGCQQOMKPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26941099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.51

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

2.726

Distribution Coefficient, logD

2.726

Water Solubility, LogSw

-3.10

Polar Surface Area

83.712

Acid Dissociation Constant (pKa)

19.93

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with P047-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P047-0248?
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What is the minimum amount of P047-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P047-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P047-0248
  • 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 P047-0248 available by request