G938-0282 Screening compound: 2-(N-methyl6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]acetamide

G938-0282 Screening compound: 2-(N-methyl6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]acetamide
G938-0282 Screening compound: 2-(N-methyl6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G938-0282
2-(N-methyl6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]acetamide

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

G938-0282

Molecular Formula

C23H28N4O5S (C23 H28 N4 O5 S)

Compound Name

2-(N-methyl6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]acetamide

IUPAC name

2-(N-methyl6-methyl-3-oxo-34-dihydro-2H-14-benzoxazine-7-sulfonamido)-N-[2-(1234-tetrahydroisoquinolin-2-yl)ethyl]acetamide

SMILES

Cc(cc(c(OC1)c2)NC1=O)c2S(N(C)CC(NCCN(CC1)Cc2c1cccc2)=O)(=O)=O

InChI

InChI=1S/C23H28N4O5S/c1-16-11-19-20(32-15-23(29)25-19)12-21(16)33(30,31)26(2)14-22(28)24-8-10-27-9-7-17-5-3-4-6-18(17)13-27/h3-6,11-12H,7-10,13-15H2,1-2H3,(H,24,28)(H,25,29)

InChI Key

VJHROQGBKNXXAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27168382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.207

Distribution Coefficient, logD

0.896

Water Solubility, LogSw

-2.49

Polar Surface Area

94.030

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

7.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

G938-0282 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 G938-0282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G938-0282?
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What is the minimum amount of G938-0282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G938-0282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G938-0282
  • 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 G938-0282 available by request