D473-2152 Screening compound: 3-[5-(4-methoxyphenyl)-3-(1-pyrrolidinylcarbonyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D473-2152 Screening compound: 3-[5-(4-methoxyphenyl)-3-(1-pyrrolidinylcarbonyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D473-2152 Screening compound: 3-[5-(4-methoxyphenyl)-3-(1-pyrrolidinylcarbonyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-2152
3-[5-(4-methoxyphenyl)-3-(1-pyrrolidinylcarbonyl)-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

D473-2152

Molecular Formula

C19H23N3O4S (C19 H23 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1cc(C(N2CCCC2)=O)nn1C(CC1)CS1(=O)=O

InChI

InChI=1S/C19H23N3O4S/c1-26-16-6-4-14(5-7-16)18-12-17(19(23)21-9-2-3-10-21)20-22(18)15-8-11-27(24,25)13-15/h4-7,12,15H,2-3,8-11,13H2,1H3/t15-/m1/s1

InChI Key

XCAIYTKEFLDHDP-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD10043208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.719

Distribution Coefficient, logD

1.719

Water Solubility, LogSw

-2.38

Polar Surface Area

65.890

Acid Dissociation Constant (pKa)

19.22

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

D473-2152 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D473-2152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-2152?
Check Price and Availability of D473-2152, 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 D473-2152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-2152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-2152
  • 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 D473-2152 available by request