G944-0661 Screening compound: 1-cyclopentyl-5-{5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole

G944-0661 Screening compound: 1-cyclopentyl-5-{5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole
G944-0661 Screening compound: 1-cyclopentyl-5-{5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G944-0661
1-cyclopentyl-5-{5-[(4-methoxyphenyl)methyl]-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

G944-0661

Molecular Formula

C21H21N5O2 (C21 H21 N5 O2)

Compound Name

1-cyclopentyl-5-{5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole

IUPAC name

1-cyclopentyl-5-{5-[(4-methoxyphenyl)methyl]-124-oxadiazol-3-yl}-1H-123-benzotriazole

SMILES

COc1ccc(Cc2nc(-c(cc3)cc4c3n(C3CCCC3)nn4)no2)cc1

InChI

InChI=1S/C21H21N5O2/c1-27-17-9-6-14(7-10-17)12-20-22-21(24-28-20)15-8-11-19-18(13-15)23-25-26(19)16-4-2-3-5-16/h6-11,13,16H,2-5,12H2,1H3

InChI Key

DKJWOSYCPHWXSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.586

Distribution Coefficient, logD

4.586

Water Solubility, LogSw

-4.50

Polar Surface Area

64.615

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with G944-0661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G944-0661?
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What is the minimum amount of G944-0661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G944-0661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G944-0661
  • 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 G944-0661 available by request