G008-3622 Screening compound: 2-({1-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonyl]piperidin-4-yl}methyl)-1,2,3,4-tetrahydroisoquinoline

G008-3622 Screening compound: 2-({1-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonyl]piperidin-4-yl}methyl)-1,2,3,4-tetrahydroisoquinoline
G008-3622 Screening compound: 2-({1-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonyl]piperidin-4-yl}methyl)-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-3622
2-({1-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonyl]piperidin-4-yl}methyl)-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

G008-3622

Molecular Formula

C26H31N3O4S (C26 H31 N3 O4 S)

Compound Name

2-({1-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonyl]piperidin-4-yl}methyl)-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-({1-[2-methoxy-5-(3-methyl-12-oxazol-5-yl)benzenesulfonyl]piperidin-4-yl}methyl)-1234-tetrahydroisoquinoline

SMILES

Cc1noc(-c(cc2)cc(S(N3CCC(CN(CC4)Cc5c4cccc5)CC3)(=O)=O)c2OC)c1

InChI

InChI=1S/C26H31N3O4S/c1-19-15-25(33-27-19)22-7-8-24(32-2)26(16-22)34(30,31)29-13-9-20(10-14-29)17-28-12-11-21-5-3-4-6-23(21)18-28/h3-8,15-16,20H,9-14,17-18H2,1-2H3

InChI Key

BJZGBQPOXDLUEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14975820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.421

Distribution Coefficient, logD

2.946

Water Solubility, LogSw

-4.32

Polar Surface Area

64.316

Acid Dissociation Constant (pKa)

25.80

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

G008-3622 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G008-3622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-3622?
Check Price and Availability of G008-3622, 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 G008-3622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-3622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-3622
  • 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 G008-3622 available by request