D012-0113 Screening compound: 4-(4-methylpiperazine-1-carbonyl)aniline

D012-0113 Screening compound: 4-(4-methylpiperazine-1-carbonyl)aniline
D012-0113 Screening compound: 4-(4-methylpiperazine-1-carbonyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound D012-0113
4-(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

D012-0113

Molecular Formula

C12H17N3O (C12 H17 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CN(CC1)CCN1C(c(cc1)ccc1N)=O

InChI

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

InChI Key

WTBSUAXLZLAHPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00973892

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

-0.173

Distribution Coefficient, logD

-0.304

Water Solubility, LogSw

-1.29

Polar Surface Area

41.169

Acid Dissociation Constant (pKa)

20.22

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

D012-0113 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Fragments

References: we are preparing a list of scientific research reports with D012-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D012-0113?
Check Price and Availability of D012-0113, 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 D012-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D012-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D012-0113
  • 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 D012-0113 available by request