D320-0594 Screening compound: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one

D320-0594 Screening compound: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
D320-0594 Screening compound: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D320-0594
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one

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

D320-0594

Molecular Formula

C20H22N4O3S (C20 H22 N4 O3 S)

Compound Name

1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one

IUPAC name

1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[3-(thiophen-2-yl)-124-oxadiazol-5-yl]propan-1-one

SMILES

COc(cc1)ccc1N(CC1)CCN1C(CCc1nc(-c2cccs2)no1)=O

InChI

InChI=1S/C20H22N4O3S/c1-26-16-6-4-15(5-7-16)23-10-12-24(13-11-23)19(25)9-8-18-21-20(22-27-18)17-3-2-14-28-17/h2-7,14H,8-13H2,1H3

InChI Key

KUPOCADVRCCDTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.397

Distribution Coefficient, logD

3.397

Water Solubility, LogSw

-3.61

Polar Surface Area

59.525

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

D320-0594 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 D320-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D320-0594?
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What is the minimum amount of D320-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D320-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D320-0594
  • 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 D320-0594 available by request