5402-0802 Screening compound: N'-(4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl)-N-phenylguanidine

5402-0802 Screening compound: N'-(4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl)-N-phenylguanidine
5402-0802 Screening compound: N'-(4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl)-N-phenylguanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5402-0802
N'-(4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl)-N-phenylguanidine

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

5402-0802

Molecular Formula

C14H17N5O (C14 H17 N5 O)

Compound Name

N'-(4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl)-N-phenylguanidine

IUPAC name

N'-(4-oxo-6-propyl-14-dihydropyrimidin-2-yl)-N-phenylguanidine

SMILES

CCCC(NC(NC(Nc1ccccc1)=N)=N1)=CC1=O

InChI

InChI=1S/C14H17N5O/c1-2-6-11-9-12(20)18-14(17-11)19-13(15)16-10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H4,15,16,17,18,19,20)

InChI Key

XCGONIMCDNHAMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03267046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.303

Distribution Coefficient, logD

0.669

Water Solubility, LogSw

-2.82

Polar Surface Area

72.658

Acid Dissociation Constant (pKa)

7.00

Base Dissociation Constant (pKb)

9.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

5402-0802 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5402-0802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5402-0802?
Check Price and Availability of 5402-0802, 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 5402-0802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5402-0802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5402-0802
  • 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 5402-0802 available by request