3843-0468 Screening compound: 5-{[3-(dimethylamino)propyl]carbamoyl}-2-[(E)-(hydroxyimino)methyl]-1-methylpyridin-1-ium

3843-0468 Screening compound: 5-{[3-(dimethylamino)propyl]carbamoyl}-2-[(E)-(hydroxyimino)methyl]-1-methylpyridin-1-ium
3843-0468 Screening compound: 5-{[3-(dimethylamino)propyl]carbamoyl}-2-[(E)-(hydroxyimino)methyl]-1-methylpyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 3843-0468
5-{[3-(dimethylamino)propyl]carbamoyl}-2-[(E)-(hydroxyimino)methyl]-1-methylpyridin-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

3843-0468

Molecular Formula

C13H21N4O2 (C13 H21 N4 O2)

Compound Name

5-{[3-(dimethylamino)propyl]carbamoyl}-2-[(E)-(hydroxyimino)methyl]-1-methylpyridin-1-ium

IUPAC name

5-{[3-(dimethylamino)propyl]carbamoyl}-2-[(E)-(hydroxyimino)methyl]-1-methylpyridin-1-ium

SMILES

CN(C)CCCNC(c1c[n+](C)c(/C=N/O)cc1)=O

InChI

InChI=1S/C13H20N4O2/c1-16(2)8-4-7-14-13(18)11-5-6-12(9-15-19)17(3)10-11/h5-6,9-10H,4,7-8H2,1-3H3,(H,14,18)/p+1

InChI Key

GYIDKOGHDPYABU-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD02928564

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

265.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.243

Distribution Coefficient, logD

-2.171

Water Solubility, LogSw

-1.70

Polar Surface Area

59.418

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

9.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

References: we are preparing a list of scientific research reports with 3843-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3843-0468?
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What is the minimum amount of 3843-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3843-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3843-0468
  • 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 3843-0468 available by request