G938-1191 Screening compound: 2-(N-methyl2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)-N-[2-(trifluoromethyl)phenyl]acetamide

G938-1191 Screening compound: 2-(N-methyl2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)-N-[2-(trifluoromethyl)phenyl]acetamide
G938-1191 Screening compound: 2-(N-methyl2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G938-1191
2-(N-methyl2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)-N-[2-(trifluoromethyl)phenyl]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

G938-1191

Molecular Formula

C20H20F3N3O5S (C20 H20 F3 N3 O5 S)

Compound Name

2-(N-methyl2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-(N-methyl26-dimethyl-3-oxo-34-dihydro-2H-14-benzoxazine-7-sulfonamido)-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

CC1Oc2cc(S(N(C)CC(Nc3c(C(F)(F)F)cccc3)=O)(=O)=O)c(C)cc2NC1=O

InChI

InChI=1S/C20H20F3N3O5S/c1-11-8-15-16(31-12(2)19(28)25-15)9-17(11)32(29,30)26(3)10-18(27)24-14-7-5-4-6-13(14)20(21,22)23/h4-9,12H,10H2,1-3H3,(H,24,27)(H,25,28)/t12-/m1/s1

InChI Key

NRLLBIZUKKQNMW-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD27168445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.761

Distribution Coefficient, logD

2.760

Water Solubility, LogSw

-3.38

Polar Surface Area

87.863

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

G938-1191 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G938-1191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G938-1191?
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What is the minimum amount of G938-1191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G938-1191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G938-1191
  • 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 G938-1191 available by request