G729-1216 Screening compound: ethyl 3-(3-{3-[(4-fluorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamido)benzoate

G729-1216 Screening compound: ethyl 3-(3-{3-[(4-fluorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamido)benzoate
G729-1216 Screening compound: ethyl 3-(3-{3-[(4-fluorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G729-1216
ethyl 3-(3-{3-[(4-fluorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamido)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

G729-1216

Molecular Formula

C21H20FN3O6S (C21 H20 FN3 O6 S)

Compound Name

ethyl 3-(3-{3-[(4-fluorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamido)benzoate

IUPAC name

ethyl 3-(3-{3-[(4-fluorobenzenesulfonyl)methyl]-124-oxadiazol-5-yl}propanamido)benzoate

SMILES

CCOC(c1cccc(NC(CCc2nc(CS(c(cc3)ccc3F)(=O)=O)no2)=O)c1)=O

InChI

InChI=1S/C21H20FN3O6S/c1-2-30-21(27)14-4-3-5-16(12-14)23-19(26)10-11-20-24-18(25-31-20)13-32(28,29)17-8-6-15(22)7-9-17/h3-9,12H,2,10-11,13H2,1H3,(H,23,26)

InChI Key

XSGUKWRCFRYWRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.195

Distribution Coefficient, logD

3.195

Water Solubility, LogSw

-3.51

Polar Surface Area

105.240

Acid Dissociation Constant (pKa)

11.94

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with G729-1216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G729-1216?
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What is the minimum amount of G729-1216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G729-1216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G729-1216
  • 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 G729-1216 available by request