D627-0260 Screening compound: N~3~-benzyl-5-(3,4-dimethylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-methyl-1H-pyrazole-3-carboxamide

D627-0260 Screening compound: N~3~-benzyl-5-(3,4-dimethylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-methyl-1H-pyrazole-3-carboxamide
D627-0260 Screening compound: N~3~-benzyl-5-(3,4-dimethylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-methyl-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D627-0260
N~3~-benzyl-5-(3,4-dimethylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-methyl-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

D627-0260

Molecular Formula

C24H27N3O3S (C24 H27 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)c(C)cc1-c1cc(C(N(C)Cc2ccccc2)=O)nn1C(CC1)CS1(=O)=O

InChI

InChI=1S/C24H27N3O3S/c1-17-9-10-20(13-18(17)2)23-14-22(25-27(23)21-11-12-31(29,30)16-21)24(28)26(3)15-19-7-5-4-6-8-19/h4-10,13-14,21H,11-12,15-16H2,1-3H3/t21-/m1/s1

InChI Key

KKHFMXSEWVIINV-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD15142147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.624

Distribution Coefficient, logD

3.624

Water Solubility, LogSw

-3.85

Polar Surface Area

57.482

Acid Dissociation Constant (pKa)

19.22

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D627-0260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D627-0260?
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What is the minimum amount of D627-0260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D627-0260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D627-0260
  • 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 D627-0260 available by request