D268-0373 Screening compound: 4-{1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-amine

D268-0373 Screening compound: 4-{1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-amine
D268-0373 Screening compound: 4-{1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D268-0373
4-{1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-1H-1,3-benzodiazol-2-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

D268-0373

Molecular Formula

C17H12BrN5O3 (C17 H12 BrN5 O3)

Compound Name

4-{1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-amine

IUPAC name

4-{1-[(6-bromo-2H-13-benzodioxol-5-yl)methyl]-1H-13-benzodiazol-2-yl}-125-oxadiazol-3-amine

SMILES

Nc1nonc1-c1nc(cccc2)c2n1Cc(cc1OCOc1c1)c1Br

InChI

InChI=1S/C17H12BrN5O3/c18-10-6-14-13(24-8-25-14)5-9(10)7-23-12-4-2-1-3-11(12)20-17(23)15-16(19)22-26-21-15/h1-6H,7-8H2,(H2,19,22)

InChI Key

IQRFVILUHDVBMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.231

Distribution Coefficient, logD

4.229

Water Solubility, LogSw

-4.55

Polar Surface Area

84.096

Acid Dissociation Constant (pKa)

18.62

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D268-0373 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D268-0373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D268-0373?
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What is the minimum amount of D268-0373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D268-0373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D268-0373
  • 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 D268-0373 available by request