P597-0270 Screening compound: 6-{5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-ethyl-1H-1,3-benzodiazole

P597-0270 Screening compound: 6-{5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-ethyl-1H-1,3-benzodiazole
P597-0270 Screening compound: 6-{5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-ethyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P597-0270
6-{5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-ethyl-1H-1,3-benzodiazole

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

P597-0270

Molecular Formula

C18H15BrN4O (C18 H15 BrN4 O)

Compound Name

6-{5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-ethyl-1H-1,3-benzodiazole

IUPAC name

6-{5-[(4-bromophenyl)methyl]-124-oxadiazol-3-yl}-1-ethyl-1H-13-benzodiazole

SMILES

CCn1c(cc(cc2)-c3noc(Cc(cc4)ccc4Br)n3)c2nc1

InChI

InChI=1S/C18H15BrN4O/c1-2-23-11-20-15-8-5-13(10-16(15)23)18-21-17(24-22-18)9-12-3-6-14(19)7-4-12/h3-8,10-11H,2,9H2,1H3

InChI Key

SMNVOEPZAIGWGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.624

Distribution Coefficient, logD

4.610

Water Solubility, LogSw

-4.47

Polar Surface Area

41.491

Acid Dissociation Constant (pKa)

23.64

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

P597-0270 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with P597-0270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P597-0270?
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What is the minimum amount of P597-0270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P597-0270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P597-0270
  • 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 P597-0270 available by request