3406-0128 Screening compound: N-(4-oxo-3,4-dihydroquinazolin-2-yl)guanidine

3406-0128 Screening compound: N-(4-oxo-3,4-dihydroquinazolin-2-yl)guanidine
3406-0128 Screening compound: N-(4-oxo-3,4-dihydroquinazolin-2-yl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3406-0128
N-(4-oxo-3,4-dihydroquinazolin-2-yl)guanidine

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

3406-0128

Molecular Formula

C9H9N5O (C9 H9 N5 O)

Compound Name

N-(4-oxo-3,4-dihydroquinazolin-2-yl)guanidine

IUPAC name

N-(4-oxo-34-dihydroquinazolin-2-yl)guanidine

SMILES

NC(NC(N1)=Nc(cccc2)c2C1=O)=N

InChI

InChI=1S/C9H9N5O/c10-8(11)14-9-12-6-4-2-1-3-5(6)7(15)13-9/h1-4H,(H5,10,11,12,13,14,15)

InChI Key

SCPFRQBUVWIDOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00511304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

203.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.264

Distribution Coefficient, logD

-1.982

Water Solubility, LogSw

-2.27

Polar Surface Area

84.482

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

11.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3406-0128 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular

References: we are preparing a list of scientific research reports with 3406-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3406-0128?
Check Price and Availability of 3406-0128, 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 3406-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3406-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3406-0128
  • 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 3406-0128 available by request