G938-1391 Screening compound: N,2,6-trimethyl-3-oxo-N-[2-oxo-2-(piperidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

G938-1391 Screening compound: N,2,6-trimethyl-3-oxo-N-[2-oxo-2-(piperidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
G938-1391 Screening compound: N,2,6-trimethyl-3-oxo-N-[2-oxo-2-(piperidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G938-1391
N,2,6-trimethyl-3-oxo-N-[2-oxo-2-(piperidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

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

G938-1391

Molecular Formula

C18H25N3O5S (C18 H25 N3 O5 S)

Compound Name

N,2,6-trimethyl-3-oxo-N-[2-oxo-2-(piperidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

IUPAC name

N26-trimethyl-3-oxo-N-[2-oxo-2-(piperidin-1-yl)ethyl]-34-dihydro-2H-14-benzoxazine-7-sulfonamide

SMILES

CC1Oc2cc(S(N(C)CC(N3CCCCC3)=O)(=O)=O)c(C)cc2NC1=O

InChI

InChI=1S/C18H25N3O5S/c1-12-9-14-15(26-13(2)18(23)19-14)10-16(12)27(24,25)20(3)11-17(22)21-7-5-4-6-8-21/h9-10,13H,4-8,11H2,1-3H3,(H,19,23)/t13-/m1/s1

InChI Key

SLWPCQCMNRCNOP-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD27168524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.195

Distribution Coefficient, logD

1.194

Water Solubility, LogSw

-2.32

Polar Surface Area

81.804

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

G938-1391 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 G938-1391 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G938-1391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G938-1391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G938-1391
  • 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 G938-1391 available by request