5161-0298 Screening compound: N''-(2,2-dimethylpropanoyl)-N-(6-methoxy-4-methyl-2-quinazolinyl)guanidine

5161-0298 Screening compound: N''-(2,2-dimethylpropanoyl)-N-(6-methoxy-4-methyl-2-quinazolinyl)guanidine
5161-0298 Screening compound: N''-(2,2-dimethylpropanoyl)-N-(6-methoxy-4-methyl-2-quinazolinyl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5161-0298
N''-(2,2-dimethylpropanoyl)-N-(6-methoxy-4-methyl-2-quinazolinyl)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

5161-0298

Molecular Formula

C16H21N5O2 (C16 H21 N5 O2)

Compound Name

N''-(2,2-dimethylpropanoyl)-N-(6-methoxy-4-methyl-2-quinazolinyl)guanidine

IUPAC name

N-[(E)-amino[(6-methoxy-4-methylquinazolin-2-yl)amino]methylidene]-22-dimethylpropanamide

SMILES

CC(C)(C)C(/N=C(\N)/Nc(nc(C)c1c2)nc1ccc2OC)=O

InChI

InChI=1S/C16H21N5O2/c1-9-11-8-10(23-5)6-7-12(11)19-15(18-9)21-14(17)20-13(22)16(2,3)4/h6-8H,1-5H3,(H3,17,18,19,20,21,22)

InChI Key

IBRLPLZKOFPXPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03372760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.744

Distribution Coefficient, logD

0.925

Water Solubility, LogSw

-3.45

Polar Surface Area

80.180

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 5161-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5161-0298?
Check Price and Availability of 5161-0298, 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 5161-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5161-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5161-0298
  • 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 5161-0298 available by request