D627-0131 Screening compound: 3-{5-(4-methylphenyl)-3-[(4-methylpiperidino)carbonyl]-1H-pyrazol-1-yl}tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D627-0131 Screening compound: 3-{5-(4-methylphenyl)-3-[(4-methylpiperidino)carbonyl]-1H-pyrazol-1-yl}tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D627-0131 Screening compound: 3-{5-(4-methylphenyl)-3-[(4-methylpiperidino)carbonyl]-1H-pyrazol-1-yl}tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D627-0131
3-{5-(4-methylphenyl)-3-[(4-methylpiperidino)carbonyl]-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

D627-0131

Molecular Formula

C21H27N3O3S (C21 H27 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1C(c1nn(C(CC2)CS2(=O)=O)c(-c2ccc(C)cc2)c1)=O

InChI

InChI=1S/C21H27N3O3S/c1-15-3-5-17(6-4-15)20-13-19(21(25)23-10-7-16(2)8-11-23)22-24(20)18-9-12-28(26,27)14-18/h3-6,13,16,18H,7-12,14H2,1-2H3/t18-/m1/s1

InChI Key

UHIHXVBCNPPBQC-GOSISDBHSA-N

MDL Number (MFCD)

MFCD15142097

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

2.777

Distribution Coefficient, logD

2.777

Water Solubility, LogSw

-3.24

Polar Surface Area

57.980

Acid Dissociation Constant (pKa)

19.22

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

D627-0131 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 D627-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D627-0131?
Check Price and Availability of D627-0131, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D627-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D627-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D627-0131
  • 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 D627-0131 available by request