D574-0058 Screening compound: 4-[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide

D574-0058 Screening compound: 4-[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
D574-0058 Screening compound: 4-[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D574-0058
4-[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]-N-[3-(methylsulfanyl)phenyl]piperazine-1-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

D574-0058

Molecular Formula

C21H28N6OS (C21 H28 N6 OS)

Compound Name

4-[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide

IUPAC name

4-[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide

SMILES

Cc1cc(N(CC2)CCN2C(Nc2cccc(SC)c2)=O)nc(N2CCCC2)n1

InChI

InChI=1S/C21H28N6OS/c1-16-14-19(24-20(22-16)26-8-3-4-9-26)25-10-12-27(13-11-25)21(28)23-17-6-5-7-18(15-17)29-2/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,23,28)

InChI Key

GVYJCYCIWFQGMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19029613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.361

Distribution Coefficient, logD

4.350

Water Solubility, LogSw

-4.20

Polar Surface Area

49.554

Acid Dissociation Constant (pKa)

13.84

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

D574-0058 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D574-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D574-0058?
Check Price and Availability of D574-0058, 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 D574-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D574-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D574-0058
  • 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 D574-0058 available by request