G939-1681 Screening compound: ethyl 3-[2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamido]benzoate

G939-1681 Screening compound: ethyl 3-[2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamido]benzoate
G939-1681 Screening compound: ethyl 3-[2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G939-1681
ethyl 3-[2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamido]benzoate

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

G939-1681

Molecular Formula

C20H20N2O5S (C20 H20 N2 O5 S)

Compound Name

ethyl 3-[2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamido]benzoate

IUPAC name

ethyl 3-[2-methyl-4-(3-methyl-12-oxazol-5-yl)benzenesulfonamido]benzoate

SMILES

CCOC(c1cccc(NS(c(cc2)c(C)cc2-c2cc(C)no2)(=O)=O)c1)=O

InChI

InChI=1S/C20H20N2O5S/c1-4-26-20(23)16-6-5-7-17(12-16)22-28(24,25)19-9-8-15(10-13(19)2)18-11-14(3)21-27-18/h5-12,22H,4H2,1-3H3

InChI Key

ILNAWTGNYFKXFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27168809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.531

Distribution Coefficient, logD

4.291

Water Solubility, LogSw

-4.21

Polar Surface Area

82.983

Acid Dissociation Constant (pKa)

7.53

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G939-1681 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G939-1681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G939-1681?
Check Price and Availability of G939-1681, 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 G939-1681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G939-1681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G939-1681
  • 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 G939-1681 available by request