8018-1852 Screening compound: O~3~-butyryl-2-chloro-4,6-dimethyl-3-pyridinecarbohydroximamide

8018-1852 Screening compound: O~3~-butyryl-2-chloro-4,6-dimethyl-3-pyridinecarbohydroximamide
8018-1852 Screening compound: O~3~-butyryl-2-chloro-4,6-dimethyl-3-pyridinecarbohydroximamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1852
O~3~-butyryl-2-chloro-4,6-dimethyl-3-pyridinecarbohydroximamide

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

8018-1852

Molecular Formula

C12H16ClN3O2 (C12 H16 ClN3 O2)

Compound Name

O~3~-butyryl-2-chloro-4,6-dimethyl-3-pyridinecarbohydroximamide

IUPAC name

(Z)-[amino(2-chloro-46-dimethylpyridin-3-yl)methylidene]amino butanoate

SMILES

CCCC(O/N=C(/c1c(C)cc(C)nc1Cl)\N)=O

InChI

InChI=1S/C12H16ClN3O2/c1-4-5-9(17)18-16-12(14)10-7(2)6-8(3)15-11(10)13/h6H,4-5H2,1-3H3,(H2,14,16)

InChI Key

GDZNPPHUECHZRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.73

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.070

Distribution Coefficient, logD

2.070

Water Solubility, LogSw

-3.00

Polar Surface Area

60.846

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

8018-1852 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 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 8018-1852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1852?
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What is the minimum amount of 8018-1852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1852
  • 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 8018-1852 available by request