D019-1166 Screening compound: (Z)-N'-[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-N-(4-ethoxyphenyl)(methylsulfanyl)methanimidamide

D019-1166 Screening compound: (Z)-N'-[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-N-(4-ethoxyphenyl)(methylsulfanyl)methanimidamide
D019-1166 Screening compound: (Z)-N'-[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-N-(4-ethoxyphenyl)(methylsulfanyl)methanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D019-1166
(Z)-N'-[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-N-(4-ethoxyphenyl)(methylsulfanyl)methanimidamide

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

D019-1166

Molecular Formula

C21H24N4O3S (C21 H24 N4 O3 S)

Compound Name

(Z)-N'-[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-N-(4-ethoxyphenyl)(methylsulfanyl)methanimidamide

IUPAC name

(Z)-N'-[3-(24-dimethoxyphenyl)-1H-pyrazol-5-yl]-N-(4-ethoxyphenyl)(methylsulfanyl)methanimidamide

SMILES

CCOc(cc1)ccc1N/C(/SC)=N/c1cc(-c(ccc(OC)c2)c2OC)n[nH]1

InChI

InChI=1S/C21H24N4O3S/c1-5-28-15-8-6-14(7-9-15)22-21(29-4)23-20-13-18(24-25-20)17-11-10-16(26-2)12-19(17)27-3/h6-13H,5H2,1-4H3,(H2,22,23,24,25)

InChI Key

WEYYGDZCQCRQNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.791

Distribution Coefficient, logD

4.154

Water Solubility, LogSw

-4.55

Polar Surface Area

62.881

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

7.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D019-1166 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D019-1166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D019-1166?
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What is the minimum amount of D019-1166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D019-1166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D019-1166
  • 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 D019-1166 available by request