G944-0734 Screening compound: 1-cyclopentyl-5-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazole

G944-0734 Screening compound: 1-cyclopentyl-5-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazole
G944-0734 Screening compound: 1-cyclopentyl-5-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G944-0734
1-cyclopentyl-5-[5-(phenoxymethyl)-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

G944-0734

Molecular Formula

C20H19N5O2 (C20 H19 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

C(c1nc(-c(cc2)cc3c2n(C2CCCC2)nn3)no1)Oc1ccccc1

InChI

InChI=1S/C20H19N5O2/c1-2-8-16(9-3-1)26-13-19-21-20(23-27-19)14-10-11-18-17(12-14)22-24-25(18)15-6-4-5-7-15/h1-3,8-12,15H,4-7,13H2

InChI Key

KTXVUEWMXMYSLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.4

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

4.361

Distribution Coefficient, logD

4.361

Water Solubility, LogSw

-4.49

Polar Surface Area

64.570

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

G944-0734 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 G944-0734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G944-0734?
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What is the minimum amount of G944-0734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G944-0734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G944-0734
  • 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 G944-0734 available by request