Y040-6872 Screening compound: 2-(4-methylpiperazine-1-carbonyl)aniline

Y040-6872 Screening compound: 2-(4-methylpiperazine-1-carbonyl)aniline
Y040-6872 Screening compound: 2-(4-methylpiperazine-1-carbonyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6872
2-(4-methylpiperazine-1-carbonyl)aniline

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

Y040-6872

Molecular Formula

C12H17N3O (C12 H17 N3 O)

Compound Name

2-(4-methylpiperazine-1-carbonyl)aniline

IUPAC name

2-(4-methylpiperazine-1-carbonyl)aniline

SMILES

CN(CC1)CCN1C(c(cccc1)c1N)=O

InChI

InChI=1S/C12H17N3O/c1-14-6-8-15(9-7-14)12(16)10-4-2-3-5-11(10)13/h2-5H,6-9,13H2,1H3

InChI Key

PEIXOOFVMXCCCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03013018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

219.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.493

Distribution Coefficient, logD

0.362

Water Solubility, LogSw

-1.89

Polar Surface Area

40.459

Acid Dissociation Constant (pKa)

19.50

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

Y040-6872 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with Y040-6872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6872?
Check Price and Availability of Y040-6872, 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 Y040-6872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6872
  • 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 Y040-6872 available by request