G947-0305 Screening compound: 6-chloro-2-ethyl-4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl]-3,4-dihydro-2H-1,4-benzoxazine

G947-0305 Screening compound: 6-chloro-2-ethyl-4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl]-3,4-dihydro-2H-1,4-benzoxazine
G947-0305 Screening compound: 6-chloro-2-ethyl-4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl]-3,4-dihydro-2H-1,4-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G947-0305
6-chloro-2-ethyl-4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl]-3,4-dihydro-2H-1,4-benzoxazine

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

G947-0305

Molecular Formula

C19H18ClN3O4S (C19 H18 ClN3 O4 S)

Compound Name

6-chloro-2-ethyl-4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl]-3,4-dihydro-2H-1,4-benzoxazine

IUPAC name

6-chloro-2-ethyl-4-[3-(5-methyl-124-oxadiazol-3-yl)benzenesulfonyl]-34-dihydro-2H-14-benzoxazine

SMILES

CCC(C1)Oc(ccc(Cl)c2)c2N1S(c1cc(-c2noc(C)n2)ccc1)(=O)=O

InChI

InChI=1S/C19H18ClN3O4S/c1-3-15-11-23(17-10-14(20)7-8-18(17)26-15)28(24,25)16-6-4-5-13(9-16)19-21-12(2)27-22-19/h4-10,15H,3,11H2,1-2H3/t15-/m1/s1

InChI Key

XATVDPJYJDCTTH-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27169959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.371

Distribution Coefficient, logD

4.371

Water Solubility, LogSw

-4.59

Polar Surface Area

69.539

Acid Dissociation Constant (pKa)

25.20

Base Dissociation Constant (pKb)

-4.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

G947-0305 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G947-0305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G947-0305?
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What is the minimum amount of G947-0305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G947-0305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G947-0305
  • 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 G947-0305 available by request