P578-0312 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-imidazole-4-carboxamide

P578-0312 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-imidazole-4-carboxamide
P578-0312 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-imidazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P578-0312
N-(2H-1,3-benzodioxol-5-yl)-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-imidazole-4-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

P578-0312

Molecular Formula

C19H18N6O3 (C19 H18 N6 O3)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-imidazole-4-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-imidazole-4-carboxamide

SMILES

O=C(c(nc1)cn1-c1ncnc(N2CCCC2)c1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C19H18N6O3/c26-19(23-13-3-4-15-16(7-13)28-12-27-15)14-9-25(11-22-14)18-8-17(20-10-21-18)24-5-1-2-6-24/h3-4,7-11H,1-2,5-6,12H2,(H,23,26)

InChI Key

DQPUHXWOYLDBPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27605362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.451

Distribution Coefficient, logD

3.450

Water Solubility, LogSw

-3.41

Polar Surface Area

75.239

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

P578-0312 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P578-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P578-0312?
Check Price and Availability of P578-0312, 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 P578-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P578-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P578-0312
  • 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 P578-0312 available by request