C328-0051 Screening compound: N-({5-[({[(4-fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-4-methoxybenzamide

C328-0051 Screening compound: N-({5-[({[(4-fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-4-methoxybenzamide
C328-0051 Screening compound: N-({5-[({[(4-fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0051
N-({5-[({[(4-fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-4-methoxybenzamide

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

C328-0051

Molecular Formula

C20H19FN4O4S (C20 H19 FN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(NCc(o1)nnc1SCC(NCc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C20H19FN4O4S/c1-28-16-8-4-14(5-9-16)19(27)23-11-18-24-25-20(29-18)30-12-17(26)22-10-13-2-6-15(21)7-3-13/h2-9H,10-12H2,1H3,(H,22,26)(H,23,27)

InChI Key

KIYUYJCLVPRGPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.838

Distribution Coefficient, logD

1.838

Water Solubility, LogSw

-2.32

Polar Surface Area

86.430

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C328-0051 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C328-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0051?
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What is the minimum amount of C328-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0051
  • 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 C328-0051 available by request