8019-5229 Screening compound: N-(2-methoxyphenyl)-N'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)guanidine

8019-5229 Screening compound: N-(2-methoxyphenyl)-N'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)guanidine
8019-5229 Screening compound: N-(2-methoxyphenyl)-N'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5229
N-(2-methoxyphenyl)-N'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-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

8019-5229

Molecular Formula

C16H19N5O2 (C16 H19 N5 O2)

Compound Name

N-(2-methoxyphenyl)-N'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)guanidine

IUPAC name

N-(2-methoxyphenyl)-N'-(4-oxo-345678-hexahydroquinazolin-2-yl)guanidine

SMILES

COc(cccc1)c1NC(NC(N1)=NC(CCCC2)=C2C1=O)=N

InChI

InChI=1S/C16H19N5O2/c1-23-13-9-5-4-8-12(13)18-15(17)21-16-19-11-7-3-2-6-10(11)14(22)20-16/h4-5,8-9H,2-3,6-7H2,1H3,(H4,17,18,19,20,21,22)

InChI Key

VIPGPDIUCLZZLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08723444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.175

Distribution Coefficient, logD

1.824

Water Solubility, LogSw

-2.76

Polar Surface Area

79.155

Acid Dissociation Constant (pKa)

8.65

Base Dissociation Constant (pKb)

7.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

8019-5229 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8019-5229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5229?
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What is the minimum amount of 8019-5229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5229
  • 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 8019-5229 available by request