D041-0229 Screening compound: N-(4-{5-[(4-bromophenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide

D041-0229 Screening compound: N-(4-{5-[(4-bromophenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide
D041-0229 Screening compound: N-(4-{5-[(4-bromophenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D041-0229
N-(4-{5-[(4-bromophenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide

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

D041-0229

Molecular Formula

C20H15BrN6O5 (C20 H15 BrN6 O5)

Compound Name

N-(4-{5-[(4-bromophenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide

IUPAC name

N-(4-{5-[(4-bromophenoxy)methyl]-124-oxadiazol-3-yl}phenyl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide

SMILES

[O-][N+](c1cn(CC(Nc(cc2)ccc2-c2noc(COc(cc3)ccc3Br)n2)=O)nc1)=O

InChI

InChI=1S/C20H15BrN6O5/c21-14-3-7-17(8-4-14)31-12-19-24-20(25-32-19)13-1-5-15(6-2-13)23-18(28)11-26-10-16(9-22-26)27(29)30/h1-10H,11-12H2,(H,23,28)

InChI Key

SKVHPUZFLZEYAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07606860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.28

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.194

Distribution Coefficient, logD

4.194

Water Solubility, LogSw

-4.29

Polar Surface Area

109.845

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D041-0229 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D041-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D041-0229?
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What is the minimum amount of D041-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D041-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D041-0229
  • 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 D041-0229 available by request