G944-0706 Screening compound: 1-cyclopentyl-5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazole

G944-0706 Screening compound: 1-cyclopentyl-5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazole
G944-0706 Screening compound: 1-cyclopentyl-5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G944-0706
1-cyclopentyl-5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazole

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

G944-0706

Molecular Formula

C23H25N5O3 (C23 H25 N5 O3)

Compound Name

1-cyclopentyl-5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazole

IUPAC name

1-cyclopentyl-5-[5-(34-diethoxyphenyl)-124-oxadiazol-3-yl]-1H-123-benzotriazole

SMILES

CCOc(ccc(-c1nc(-c(cc2)cc3c2n(C2CCCC2)nn3)no1)c1)c1OCC

InChI

InChI=1S/C23H25N5O3/c1-3-29-20-12-10-16(14-21(20)30-4-2)23-24-22(26-31-23)15-9-11-19-18(13-15)25-27-28(19)17-7-5-6-8-17/h9-14,17H,3-8H2,1-2H3

InChI Key

LNDHTSLANFWQTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.629

Distribution Coefficient, logD

4.629

Water Solubility, LogSw

-4.45

Polar Surface Area

71.826

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

G944-0706 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G944-0706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G944-0706?
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What is the minimum amount of G944-0706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G944-0706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G944-0706
  • 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 G944-0706 available by request