D574-0036 Screening compound: N-(4-ethoxyphenyl)-4-[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide

D574-0036 Screening compound: N-(4-ethoxyphenyl)-4-[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
D574-0036 Screening compound: N-(4-ethoxyphenyl)-4-[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D574-0036
N-(4-ethoxyphenyl)-4-[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]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

D574-0036

Molecular Formula

C22H30N6O2 (C22 H30 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(N(CC1)CCN1c1nc(N2CCCC2)nc(C)c1)=O

InChI

InChI=1S/C22H30N6O2/c1-3-30-19-8-6-18(7-9-19)24-22(29)28-14-12-26(13-15-28)20-16-17(2)23-21(25-20)27-10-4-5-11-27/h6-9,16H,3-5,10-15H2,1-2H3,(H,24,29)

InChI Key

XIHHPUKVZHHQJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18484323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.269

Distribution Coefficient, logD

4.258

Water Solubility, LogSw

-4.08

Polar Surface Area

56.678

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D574-0036 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D574-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D574-0036?
Check Price and Availability of D574-0036, 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 D574-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D574-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D574-0036
  • 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 D574-0036 available by request