D398-0047 Screening compound: 4-chloro-1-methyl-5-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-1H-pyrazole

D398-0047 Screening compound: 4-chloro-1-methyl-5-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-1H-pyrazole
D398-0047 Screening compound: 4-chloro-1-methyl-5-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0047
4-chloro-1-methyl-5-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-1H-pyrazole

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

D398-0047

Molecular Formula

C13H14ClN3OS (C13 H14 ClN3 OS)

Compound Name

4-chloro-1-methyl-5-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-1H-pyrazole

IUPAC name

4-chloro-1-methyl-5-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-1H-pyrazole

SMILES

Cn1ncc(Cl)c1C(N(CCC1)C1c1cccs1)=O

InChI

InChI=1S/C13H14ClN3OS/c1-16-12(9(14)8-15-16)13(18)17-6-2-4-10(17)11-5-3-7-19-11/h3,5,7-8,10H,2,4,6H2,1H3/t10-/m0/s1

InChI Key

VMOJOAQINZRIOO-JTQLQIEISA-N

MDL Number (MFCD)

MFCD27583268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.79

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.914

Distribution Coefficient, logD

1.914

Water Solubility, LogSw

-2.59

Polar Surface Area

31.209

Acid Dissociation Constant (pKa)

26.65

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

D398-0047 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cancer
Agro:
  • Agro
Structure:
  • Fragments
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D398-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0047?
Check Price and Availability of D398-0047, 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 D398-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0047
  • 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 D398-0047 available by request