8012-0384 Screening compound: 4-(5-{5-bromo-2-[(2-chlorophenyl)methoxy]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine

8012-0384 Screening compound: 4-(5-{5-bromo-2-[(2-chlorophenyl)methoxy]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine
8012-0384 Screening compound: 4-(5-{5-bromo-2-[(2-chlorophenyl)methoxy]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-0384
4-(5-{5-bromo-2-[(2-chlorophenyl)methoxy]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine

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

8012-0384

Molecular Formula

C17H11BrClN5O3 (C17 H11 BrClN5 O3)

Compound Name

4-(5-{5-bromo-2-[(2-chlorophenyl)methoxy]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine

IUPAC name

4-(5-{5-bromo-2-[(2-chlorophenyl)methoxy]phenyl}-124-oxadiazol-3-yl)-125-oxadiazol-3-amine

SMILES

Nc1nonc1-c1noc(-c(cc(cc2)Br)c2OCc(cccc2)c2Cl)n1

InChI

InChI=1S/C17H11BrClN5O3/c18-10-5-6-13(25-8-9-3-1-2-4-12(9)19)11(7-10)17-21-16(24-26-17)14-15(20)23-27-22-14/h1-7H,8H2,(H2,20,23)

InChI Key

PAYUNXUFQONDCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03035592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.997

Distribution Coefficient, logD

4.997

Water Solubility, LogSw

-5.12

Polar Surface Area

96.043

Acid Dissociation Constant (pKa)

18.94

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

8012-0384 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with 8012-0384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-0384?
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What is the minimum amount of 8012-0384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-0384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-0384
  • 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 8012-0384 available by request