G944-0340 Screening compound: 5-[5-(5-bromofuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-propyl-1H-1,2,3-benzotriazole

G944-0340 Screening compound: 5-[5-(5-bromofuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-propyl-1H-1,2,3-benzotriazole
G944-0340 Screening compound: 5-[5-(5-bromofuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-propyl-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G944-0340
5-[5-(5-bromofuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-propyl-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

G944-0340

Molecular Formula

C15H12BrN5O2 (C15 H12 BrN5 O2)

Compound Name

5-[5-(5-bromofuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-propyl-1H-1,2,3-benzotriazole

IUPAC name

5-[5-(5-bromofuran-2-yl)-124-oxadiazol-3-yl]-1-propyl-1H-123-benzotriazole

SMILES

CCCn1nnc2c1ccc(-c1noc(-c(o3)ccc3Br)n1)c2

InChI

InChI=1S/C15H12BrN5O2/c1-2-7-21-11-4-3-9(8-10(11)18-20-21)14-17-15(23-19-14)12-5-6-13(16)22-12/h3-6,8H,2,7H2,1H3

InChI Key

LERWQKLRAZBQNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.2

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.002

Distribution Coefficient, logD

4.002

Water Solubility, LogSw

-4.06

Polar Surface Area

66.246

Acid Dissociation Constant (pKa)

26.63

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G944-0340 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 G944-0340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G944-0340?
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What is the minimum amount of G944-0340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G944-0340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G944-0340
  • 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 G944-0340 available by request