8003-7180 Screening compound: N-[2-(2-{(E)-1-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylidene}hydrazino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

8003-7180 Screening compound: N-[2-(2-{(E)-1-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylidene}hydrazino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
8003-7180 Screening compound: N-[2-(2-{(E)-1-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylidene}hydrazino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-7180
N-[2-(2-{(E)-1-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylidene}hydrazino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

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

8003-7180

Molecular Formula

C22H21N5O6 (C22 H21 N5 O6)

Compound Name

N-[2-(2-{(E)-1-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylidene}hydrazino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

IUPAC name

N-({N'-[(E)-[3-(34-dimethoxyphenyl)-1H-pyrazol-4-yl]methylidene]hydrazinecarbonyl}methyl)-2H-13-benzodioxole-5-carboxamide

SMILES

COc(ccc(-c1n[nH]cc1/C=N/NC(CNC(c(cc1)cc2c1OCO2)=O)=O)c1)c1OC

InChI

InChI=1S/C22H21N5O6/c1-30-16-5-3-13(7-18(16)31-2)21-15(10-25-27-21)9-24-26-20(28)11-23-22(29)14-4-6-17-19(8-14)33-12-32-17/h3-10H,11-12H2,1-2H3,(H,23,29)(H,25,27)(H,26,28)

InChI Key

CQUVVYBMBLKQAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00736114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.401

Distribution Coefficient, logD

2.401

Water Solubility, LogSw

-3.03

Polar Surface Area

116.592

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

8003-7180 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8003-7180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-7180?
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What is the minimum amount of 8003-7180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-7180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-7180
  • 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 8003-7180 available by request