D268-0409 Screening compound: N-(4-{1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-yl)propanamide

D268-0409 Screening compound: N-(4-{1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-yl)propanamide
D268-0409 Screening compound: N-(4-{1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D268-0409
N-(4-{1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-yl)propanamide

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

D268-0409

Molecular Formula

C20H16BrN5O4 (C20 H16 BrN5 O4)

Compound Name

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

IUPAC name

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

SMILES

CCC(Nc1nonc1-c1nc(cccc2)c2n1Cc(cc1OCOc1c1)c1Br)=O

InChI

InChI=1S/C20H16BrN5O4/c1-2-17(27)23-19-18(24-30-25-19)20-22-13-5-3-4-6-14(13)26(20)9-11-7-15-16(8-12(11)21)29-10-28-15/h3-8H,2,9-10H2,1H3,(H,23,25,27)

InChI Key

ZYJOPMMGVAGBIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.774

Distribution Coefficient, logD

4.761

Water Solubility, LogSw

-4.46

Polar Surface Area

87.188

Acid Dissociation Constant (pKa)

8.93

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D268-0409 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D268-0409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D268-0409?
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What is the minimum amount of D268-0409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D268-0409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D268-0409
  • 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 D268-0409 available by request