C328-0462 Screening compound: 3,4-dimethoxy-N-({5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)benzamide

C328-0462 Screening compound: 3,4-dimethoxy-N-({5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)benzamide
C328-0462 Screening compound: 3,4-dimethoxy-N-({5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0462
3,4-dimethoxy-N-({5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)benzamide

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

C328-0462

Molecular Formula

C21H19F3N4O5S (C21 H19 F3 N4 O5 S)

Compound Name

3,4-dimethoxy-N-({5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)benzamide

IUPAC name

34-dimethoxy-N-({5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-134-oxadiazol-2-yl}methyl)benzamide

SMILES

COc(ccc(C(NCc(o1)nnc1SCC(Nc1c(C(F)(F)F)cccc1)=O)=O)c1)c1OC

InChI

InChI=1S/C21H19F3N4O5S/c1-31-15-8-7-12(9-16(15)32-2)19(30)25-10-18-27-28-20(33-18)34-11-17(29)26-14-6-4-3-5-13(14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,25,30)(H,26,29)

InChI Key

GXWWRECLKNCKQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.285

Distribution Coefficient, logD

2.285

Water Solubility, LogSw

-3.18

Polar Surface Area

92.127

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with C328-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0462?
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What is the minimum amount of C328-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0462
  • 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 C328-0462 available by request