1546-0052 Screening compound: (Z)-N-[(3E)-1-(dimethylamino)-3-(hydroxyimino)butan-2-ylidene]hydroxylamine

1546-0052 Screening compound: (Z)-N-[(3E)-1-(dimethylamino)-3-(hydroxyimino)butan-2-ylidene]hydroxylamine
1546-0052 Screening compound: (Z)-N-[(3E)-1-(dimethylamino)-3-(hydroxyimino)butan-2-ylidene]hydroxylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1546-0052
(Z)-N-[(3E)-1-(dimethylamino)-3-(hydroxyimino)butan-2-ylidene]hydroxylamine

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

1546-0052

Molecular Formula

C6H13N3O2 (C6 H13 N3 O2)

Compound Name

(Z)-N-[(3E)-1-(dimethylamino)-3-(hydroxyimino)butan-2-ylidene]hydroxylamine

IUPAC name

(Z)-N-[(3E)-1-(dimethylamino)-3-(hydroxyimino)butan-2-ylidene]hydroxylamine

SMILES

C/C(/C(/CN(C)C)=N\O)=N\O

InChI

InChI=1S/C6H13N3O2/c1-5(7-10)6(8-11)4-9(2)3/h10-11H,4H2,1-3H3

InChI Key

DOEFUIMTXWAGKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

159.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.849

Distribution Coefficient, logD

-2.160

Water Solubility, LogSw

0.57

Polar Surface Area

63.095

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

8.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

1546-0052 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1546-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1546-0052?
Check Price and Availability of 1546-0052, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1546-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1546-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1546-0052
  • 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 1546-0052 available by request