G408-2468 Screening compound: 2-[5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonyl]-1,2,3,4-tetrahydroisoquinoline

G408-2468 Screening compound: 2-[5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonyl]-1,2,3,4-tetrahydroisoquinoline
G408-2468 Screening compound: 2-[5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound G408-2468
2-[5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonyl]-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

G408-2468

Molecular Formula

C22H22N2O3S (C22 H22 N2 O3 S)

Compound Name

2-[5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[5-(2-cyclopropyl-13-oxazol-5-yl)-2-methylbenzenesulfonyl]-1234-tetrahydroisoquinoline

SMILES

Cc(ccc(-c1cnc(C2CC2)o1)c1)c1S(N(CC1)Cc2c1cccc2)(=O)=O

InChI

InChI=1S/C22H22N2O3S/c1-15-6-7-18(20-13-23-22(27-20)17-8-9-17)12-21(15)28(25,26)24-11-10-16-4-2-3-5-19(16)14-24/h2-7,12-13,17H,8-11,14H2,1H3

InChI Key

ONNHEFANHUGMEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15010286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.080

Distribution Coefficient, logD

5.080

Water Solubility, LogSw

-4.76

Polar Surface Area

49.586

Acid Dissociation Constant (pKa)

23.73

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

G408-2468 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G408-2468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G408-2468?
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What is the minimum amount of G408-2468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G408-2468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G408-2468
  • 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 G408-2468 available by request