D627-0195 Screening compound: 3-[3-(1-azepanylcarbonyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D627-0195 Screening compound: 3-[3-(1-azepanylcarbonyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D627-0195 Screening compound: 3-[3-(1-azepanylcarbonyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D627-0195
3-[3-(1-azepanylcarbonyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

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

D627-0195

Molecular Formula

C21H27N3O3S (C21 H27 N3 O3 S)

Compound Name

3-[3-(1-azepanylcarbonyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

3-[3-(azepane-1-carbonyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]-1lambda6-thiolane-11-dione

SMILES

Cc(cc1)ccc1-c1cc(C(N2CCCCCC2)=O)nn1C(CC1)CS1(=O)=O

InChI

InChI=1S/C21H27N3O3S/c1-16-6-8-17(9-7-16)20-14-19(21(25)23-11-4-2-3-5-12-23)22-24(20)18-10-13-28(26,27)15-18/h6-9,14,18H,2-5,10-13,15H2,1H3/t18-/m1/s1

InChI Key

JQFYDXDGGGJKHZ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD15142243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.943

Distribution Coefficient, logD

2.943

Water Solubility, LogSw

-3.28

Polar Surface Area

58.311

Acid Dissociation Constant (pKa)

19.22

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

D627-0195 in Drug Discovery

Included in Screening Libraries

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 D627-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D627-0195?
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What is the minimum amount of D627-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D627-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D627-0195
  • 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 D627-0195 available by request