D627-0344 Screening compound: N~3~-(3-cyanophenyl)-5-(3,4-dimethylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1H-pyrazole-3-carboxamide

D627-0344 Screening compound: N~3~-(3-cyanophenyl)-5-(3,4-dimethylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1H-pyrazole-3-carboxamide
D627-0344 Screening compound: N~3~-(3-cyanophenyl)-5-(3,4-dimethylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D627-0344
N~3~-(3-cyanophenyl)-5-(3,4-dimethylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1H-pyrazole-3-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

D627-0344

Molecular Formula

C23H22N4O3S (C23 H22 N4 O3 S)

Compound Name

N~3~-(3-cyanophenyl)-5-(3,4-dimethylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1H-pyrazole-3-carboxamide

IUPAC name

N-(3-cyanophenyl)-5-(34-dimethylphenyl)-1-(11-dioxo-1lambda6-thiolan-3-yl)-1H-pyrazole-3-carboxamide

SMILES

Cc(cc1)c(C)cc1-c1cc(C(Nc2cc(C#N)ccc2)=O)nn1C(CC1)CS1(=O)=O

InChI

InChI=1S/C23H22N4O3S/c1-15-6-7-18(10-16(15)2)22-12-21(26-27(22)20-8-9-31(29,30)14-20)23(28)25-19-5-3-4-17(11-19)13-24/h3-7,10-12,20H,8-9,14H2,1-2H3,(H,25,28)/t20-/m1/s1

InChI Key

FHGULOZGSZCVPM-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD15142183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.487

Distribution Coefficient, logD

3.487

Water Solubility, LogSw

-3.80

Polar Surface Area

81.479

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

D627-0344 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 D627-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D627-0344?
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What is the minimum amount of D627-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D627-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D627-0344
  • 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 D627-0344 available by request