8018-9808 Screening compound: N~11~-(4,6-dimethyl-2-pyrimidinyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carboximidamide

8018-9808 Screening compound: N~11~-(4,6-dimethyl-2-pyrimidinyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carboximidamide
8018-9808 Screening compound: N~11~-(4,6-dimethyl-2-pyrimidinyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9808
N~11~-(4,6-dimethyl-2-pyrimidinyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carboximidamide

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

8018-9808

Molecular Formula

C18H22N6O (C18 H22 N6 O)

Compound Name

N~11~-(4,6-dimethyl-2-pyrimidinyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carboximidamide

IUPAC name

N-(46-dimethylpyrimidin-2-yl)-6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-diene-11-carboximidamide

SMILES

Cc1nc(NC(N(CC(C2)CN34)CC2C4=CC=CC3=O)=N)nc(C)c1

InChI

InChI=1S/C18H22N6O/c1-11-6-12(2)21-18(20-11)22-17(19)23-8-13-7-14(10-23)15-4-3-5-16(25)24(15)9-13/h3-6,13-14H,7-10H2,1-2H3,(H2,19,20,21,22)

InChI Key

WHMYZWIFHZKVFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08132937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.644

Distribution Coefficient, logD

-3.452

Water Solubility, LogSw

-2.11

Polar Surface Area

65.278

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

12.50

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.40

8018-9808 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-9808 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8018-9808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9808
  • 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 8018-9808 available by request