D627-0299 Screening compound: 5-(3,4-dimethylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~,N~3~-diethyl-1H-pyrazole-3-carboxamide

D627-0299 Screening compound: 5-(3,4-dimethylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~,N~3~-diethyl-1H-pyrazole-3-carboxamide
D627-0299 Screening compound: 5-(3,4-dimethylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~,N~3~-diethyl-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D627-0299
5-(3,4-dimethylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~,N~3~-diethyl-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

D627-0299

Molecular Formula

C20H27N3O3S (C20 H27 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)C(c1nn(C(CC2)CS2(=O)=O)c(-c2cc(C)c(C)cc2)c1)=O

InChI

InChI=1S/C20H27N3O3S/c1-5-22(6-2)20(24)18-12-19(16-8-7-14(3)15(4)11-16)23(21-18)17-9-10-27(25,26)13-17/h7-8,11-12,17H,5-6,9-10,13H2,1-4H3/t17-/m1/s1

InChI Key

GFKAHNZJXXXFBV-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14860214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.52

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

2.537

Distribution Coefficient, logD

2.537

Water Solubility, LogSw

-2.69

Polar Surface Area

57.264

Acid Dissociation Constant (pKa)

19.22

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D627-0299 in Drug Discovery

Included in Screening Libraries

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D627-0299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D627-0299?
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What is the minimum amount of D627-0299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D627-0299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D627-0299
  • 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 D627-0299 available by request