D041-0240 Screening compound: N-(4-{5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide

D041-0240 Screening compound: N-(4-{5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide
D041-0240 Screening compound: N-(4-{5-[(3,4-dimethoxyphenyl)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 D041-0240
N-(4-{5-[(3,4-dimethoxyphenyl)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

D041-0240

Molecular Formula

C22H20N6O6 (C22 H20 N6 O6)

Compound Name

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

IUPAC name

N-(4-{5-[(34-dimethoxyphenyl)methyl]-124-oxadiazol-3-yl}phenyl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide

SMILES

COc(ccc(Cc1nc(-c(cc2)ccc2NC(Cn2ncc([N+]([O-])=O)c2)=O)no1)c1)c1OC

InChI

InChI=1S/C22H20N6O6/c1-32-18-8-3-14(9-19(18)33-2)10-21-25-22(26-34-21)15-4-6-16(7-5-15)24-20(29)13-27-12-17(11-23-27)28(30)31/h3-9,11-12H,10,13H2,1-2H3,(H,24,29)

InChI Key

ISWXYKXURJMLNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.44

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.193

Distribution Coefficient, logD

3.193

Water Solubility, LogSw

-3.48

Polar Surface Area

117.607

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D041-0240 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D041-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D041-0240?
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What is the minimum amount of D041-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D041-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D041-0240
  • 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 D041-0240 available by request