M333-0085 Screening compound: 2-{[2-methyl-5-(3-methyl-1H-pyrazol-5-yl)thiophen-3-yl]sulfonyl}-1,2,3,4-tetrahydroisoquinoline

M333-0085 Screening compound: 2-{[2-methyl-5-(3-methyl-1H-pyrazol-5-yl)thiophen-3-yl]sulfonyl}-1,2,3,4-tetrahydroisoquinoline
M333-0085 Screening compound: 2-{[2-methyl-5-(3-methyl-1H-pyrazol-5-yl)thiophen-3-yl]sulfonyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound M333-0085
2-{[2-methyl-5-(3-methyl-1H-pyrazol-5-yl)thiophen-3-yl]sulfonyl}-1,2,3,4-tetrahydroisoquinoline

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

M333-0085

Molecular Formula

C18H19N3O2S2 (C18 H19 N3 O2 S2)

Compound Name

2-{[2-methyl-5-(3-methyl-1H-pyrazol-5-yl)thiophen-3-yl]sulfonyl}-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-{[2-methyl-5-(3-methyl-1H-pyrazol-5-yl)thiophen-3-yl]sulfonyl}-1234-tetrahydroisoquinoline

SMILES

Cc1n[nH]c(-c2cc(S(N(CC3)Cc4c3cccc4)(=O)=O)c(C)s2)c1

InChI

InChI=1S/C18H19N3O2S2/c1-12-9-16(20-19-12)17-10-18(13(2)24-17)25(22,23)21-8-7-14-5-3-4-6-15(14)11-21/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,20)

InChI Key

ZWQYBOOZNFWUOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27536765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.990

Distribution Coefficient, logD

3.985

Water Solubility, LogSw

-4.05

Polar Surface Area

54.926

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with M333-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M333-0085?
Check Price and Availability of M333-0085, 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 M333-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M333-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M333-0085
  • 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 M333-0085 available by request