3740-0976 Screening compound: 5-(3,4-dimethoxyphenyl)-N-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide

3740-0976 Screening compound: 5-(3,4-dimethoxyphenyl)-N-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
3740-0976 Screening compound: 5-(3,4-dimethoxyphenyl)-N-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3740-0976
5-(3,4-dimethoxyphenyl)-N-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide

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

3740-0976

Molecular Formula

C22H21N3O2S2 (C22 H21 N3 O2 S2)

Compound Name

5-(3,4-dimethoxyphenyl)-N-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide

IUPAC name

5-(34-dimethoxyphenyl)-N-phenyl-3-(thiophen-2-yl)-45-dihydro-1H-pyrazole-1-carbothioamide

SMILES

COc(ccc(C(C1)N(C(Nc2ccccc2)=S)N=C1c1cccs1)c1)c1OC

InChI

InChI=1S/C22H21N3O2S2/c1-26-19-11-10-15(13-20(19)27-2)18-14-17(21-9-6-12-29-21)24-25(18)22(28)23-16-7-4-3-5-8-16/h3-13,18H,14H2,1-2H3,(H,23,28)/t18-/m0/s1

InChI Key

LCAFJKXAZFKFRV-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03150227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.203

Distribution Coefficient, logD

5.203

Water Solubility, LogSw

-5.20

Polar Surface Area

37.644

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

3740-0976 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3740-0976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3740-0976?
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What is the minimum amount of 3740-0976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3740-0976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3740-0976
  • 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 3740-0976 available by request