G349-1756 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine

G349-1756 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine
G349-1756 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G349-1756
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine

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

G349-1756

Molecular Formula

C22H24N4O5 (C22 H24 N4 O5)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-4-[3-(23-dimethoxyphenyl)-124-oxadiazol-5-yl]piperazine

SMILES

COc1cccc(-c2noc(N3CCN(Cc(cc4)cc5c4OCO5)CC3)n2)c1OC

InChI

InChI=1S/C22H24N4O5/c1-27-18-5-3-4-16(20(18)28-2)21-23-22(31-24-21)26-10-8-25(9-11-26)13-15-6-7-17-19(12-15)30-14-29-17/h3-7,12H,8-11,13-14H2,1-2H3

InChI Key

HIHVESNNSSZCLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15000482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.238

Distribution Coefficient, logD

2.335

Water Solubility, LogSw

-3.44

Polar Surface Area

71.443

Acid Dissociation Constant (pKa)

23.25

Base Dissociation Constant (pKb)

8.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

G349-1756 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 G349-1756 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G349-1756?
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What is the minimum amount of G349-1756 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G349-1756
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G349-1756
  • 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 G349-1756 available by request