C328-0497 Screening compound: N-({5-[({[(4-fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4-dimethoxybenzamide

C328-0497 Screening compound: N-({5-[({[(4-fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4-dimethoxybenzamide
C328-0497 Screening compound: N-({5-[({[(4-fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0497
N-({5-[({[(4-fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4-dimethoxybenzamide

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

C328-0497

Molecular Formula

C21H21FN4O5S (C21 H21 FN4 O5 S)

Compound Name

N-({5-[({[(4-fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4-dimethoxybenzamide

IUPAC name

N-({5-[({[(4-fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]-134-oxadiazol-2-yl}methyl)-34-dimethoxybenzamide

SMILES

COc(ccc(C(NCc(o1)nnc1SCC(NCc(cc1)ccc1F)=O)=O)c1)c1OC

InChI

InChI=1S/C21H21FN4O5S/c1-29-16-8-5-14(9-17(16)30-2)20(28)24-11-19-25-26-21(31-19)32-12-18(27)23-10-13-3-6-15(22)7-4-13/h3-9H,10-12H2,1-2H3,(H,23,27)(H,24,28)

InChI Key

WCGHLDRBKNIMNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.49

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

1.480

Distribution Coefficient, logD

1.480

Water Solubility, LogSw

-2.43

Polar Surface Area

94.147

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C328-0497 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 C328-0497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0497?
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What is the minimum amount of C328-0497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0497
  • 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 C328-0497 available by request