G938-0995 Screening compound: 2-(N-methyl6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)-N-(naphthalen-1-yl)acetamide

G938-0995 Screening compound: 2-(N-methyl6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)-N-(naphthalen-1-yl)acetamide
G938-0995 Screening compound: 2-(N-methyl6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)-N-(naphthalen-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G938-0995
2-(N-methyl6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)-N-(naphthalen-1-yl)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

G938-0995

Molecular Formula

C21H18ClN3O5S (C21 H18 ClN3 O5 S)

Compound Name

2-(N-methyl6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)-N-(naphthalen-1-yl)acetamide

IUPAC name

2-(N-methyl6-chloro-3-oxo-34-dihydro-2H-14-benzoxazine-7-sulfonamido)-N-(naphthalen-1-yl)acetamide

SMILES

CN(CC(Nc1cccc2ccccc12)=O)S(c(cc(c(N1)c2)OCC1=O)c2Cl)(=O)=O

InChI

InChI=1S/C21H18ClN3O5S/c1-25(11-20(26)23-16-8-4-6-13-5-2-3-7-14(13)16)31(28,29)19-10-18-17(9-15(19)22)24-21(27)12-30-18/h2-10H,11-12H2,1H3,(H,23,26)(H,24,27)

InChI Key

WJPZUQCQEDDAME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15076332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.91

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.487

Distribution Coefficient, logD

2.429

Water Solubility, LogSw

-3.43

Polar Surface Area

88.253

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G938-0995 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G938-0995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G938-0995?
Check Price and Availability of G938-0995, 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 G938-0995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G938-0995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G938-0995
  • 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 G938-0995 available by request