C328-0455 Screening compound: ethyl 4-{2-[(5-{[(3,4-dimethoxyphenyl)formamido]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}piperazine-1-carboxylate

C328-0455 Screening compound: ethyl 4-{2-[(5-{[(3,4-dimethoxyphenyl)formamido]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}piperazine-1-carboxylate
C328-0455 Screening compound: ethyl 4-{2-[(5-{[(3,4-dimethoxyphenyl)formamido]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0455
ethyl 4-{2-[(5-{[(3,4-dimethoxyphenyl)formamido]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}piperazine-1-carboxylate

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

C328-0455

Molecular Formula

C21H27N5O7S (C21 H27 N5 O7 S)

Compound Name

ethyl 4-{2-[(5-{[(3,4-dimethoxyphenyl)formamido]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{2-[(5-{[(34-dimethoxyphenyl)formamido]methyl}-134-oxadiazol-2-yl)sulfanyl]acetyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(CSc1nnc(CNC(c(cc2)cc(OC)c2OC)=O)o1)=O)=O

InChI

InChI=1S/C21H27N5O7S/c1-4-32-21(29)26-9-7-25(8-10-26)18(27)13-34-20-24-23-17(33-20)12-22-19(28)14-5-6-15(30-2)16(11-14)31-3/h5-6,11H,4,7-10,12-13H2,1-3H3,(H,22,28)

InChI Key

ZJBZXARTAWUGSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.54

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.570

Distribution Coefficient, logD

0.570

Water Solubility, LogSw

-2.35

Polar Surface Area

108.848

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with C328-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0455?
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What is the minimum amount of C328-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0455
  • 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 C328-0455 available by request