Y600-0012 Screening compound: 4-[(Z)-1-(dimethylamino)methylidene]-1-(4-nitrophenyl)-3-propyl-1H-pyrazol-5-one

Y600-0012 Screening compound: 4-[(Z)-1-(dimethylamino)methylidene]-1-(4-nitrophenyl)-3-propyl-1H-pyrazol-5-one
Y600-0012 Screening compound: 4-[(Z)-1-(dimethylamino)methylidene]-1-(4-nitrophenyl)-3-propyl-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-0012
4-[(Z)-1-(dimethylamino)methylidene]-1-(4-nitrophenyl)-3-propyl-1H-pyrazol-5-one

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

Y600-0012

Molecular Formula

C15H18N4O3 (C15 H18 N4 O3)

Compound Name

4-[(Z)-1-(dimethylamino)methylidene]-1-(4-nitrophenyl)-3-propyl-1H-pyrazol-5-one

IUPAC name

(4Z)-4-[(dimethylamino)methylidene]-1-(4-nitrophenyl)-3-propyl-45-dihydro-1H-pyrazol-5-one

SMILES

CCCC(/C(/C1=O)=C/N(C)C)=NN1c(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C15H18N4O3/c1-4-5-14-13(10-17(2)3)15(20)18(16-14)11-6-8-12(9-7-11)19(21)22/h6-10H,4-5H2,1-3H3

InChI Key

AEEVGUCYDLTPHK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.981

Distribution Coefficient, logD

1.980

Water Solubility, LogSw

-2.39

Polar Surface Area

64.468

Acid Dissociation Constant (pKa)

27.20

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

Y600-0012 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y600-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-0012?
Check Price and Availability of Y600-0012, 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 Y600-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-0012
  • 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 Y600-0012 available by request