0134-0060 Screening compound: 1-(3,3-dimethyl-2-oxobutyl)-3-[(E)-(hydroxyimino)methyl]pyridin-1-ium

0134-0060 Screening compound: 1-(3,3-dimethyl-2-oxobutyl)-3-[(E)-(hydroxyimino)methyl]pyridin-1-ium
0134-0060 Screening compound: 1-(3,3-dimethyl-2-oxobutyl)-3-[(E)-(hydroxyimino)methyl]pyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0134-0060
1-(3,3-dimethyl-2-oxobutyl)-3-[(E)-(hydroxyimino)methyl]pyridin-1-ium

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

0134-0060

Molecular Formula

C12H17N2O2 (C12 H17 N2 O2)

Compound Name

1-(3,3-dimethyl-2-oxobutyl)-3-[(E)-(hydroxyimino)methyl]pyridin-1-ium

IUPAC name

1-(33-dimethyl-2-oxobutyl)-3-[(E)-(hydroxyimino)methyl]pyridin-1-ium

SMILES

CC(C)(C)C(C[n+]1cc(/C=N/O)ccc1)=O

InChI

InChI=1S/C12H16N2O2/c1-12(2,3)11(15)9-14-6-4-5-10(8-14)7-13-16/h4-8H,9H2,1-3H3/p+1

InChI Key

UDNYORJANBVETJ-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD00600595

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

221.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.102

Distribution Coefficient, logD

2.101

Water Solubility, LogSw

-2.26

Polar Surface Area

45.458

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

0134-0060 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0134-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0134-0060?
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What is the minimum amount of 0134-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0134-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0134-0060
  • 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 0134-0060 available by request