D573-0110 Screening compound: 4-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-6-methyl-2-(pyrrolidin-1-yl)pyrimidine

D573-0110 Screening compound: 4-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-6-methyl-2-(pyrrolidin-1-yl)pyrimidine
D573-0110 Screening compound: 4-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-6-methyl-2-(pyrrolidin-1-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D573-0110
4-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-6-methyl-2-(pyrrolidin-1-yl)pyrimidine

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

D573-0110

Molecular Formula

C21H25N5O3 (C21 H25 N5 O3)

Compound Name

4-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-6-methyl-2-(pyrrolidin-1-yl)pyrimidine

IUPAC name

4-[4-(2H-13-benzodioxole-5-carbonyl)piperazin-1-yl]-6-methyl-2-(pyrrolidin-1-yl)pyrimidine

SMILES

Cc1cc(N(CC2)CCN2C(c(cc2)cc3c2OCO3)=O)nc(N2CCCC2)n1

InChI

InChI=1S/C21H25N5O3/c1-15-12-19(23-21(22-15)26-6-2-3-7-26)24-8-10-25(11-9-24)20(27)16-4-5-17-18(13-16)29-14-28-17/h4-5,12-13H,2-3,6-11,14H2,1H3

InChI Key

QWEPPDFRRDDVTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19026984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.378

Distribution Coefficient, logD

3.367

Water Solubility, LogSw

-3.37

Polar Surface Area

57.849

Acid Dissociation Constant (pKa)

19.71

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

D573-0110 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D573-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D573-0110?
Check Price and Availability of D573-0110, 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 D573-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D573-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D573-0110
  • 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 D573-0110 available by request