0413-0233 Screening compound: (1-methylpiperidin-4-ylidene)amino 4-chlorobenzoate

0413-0233 Screening compound: (1-methylpiperidin-4-ylidene)amino 4-chlorobenzoate
0413-0233 Screening compound: (1-methylpiperidin-4-ylidene)amino 4-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0413-0233
(1-methylpiperidin-4-ylidene)amino 4-chlorobenzoate

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

0413-0233

Molecular Formula

C13H15ClN2O2 (C13 H15 ClN2 O2)

Compound Name

(1-methylpiperidin-4-ylidene)amino 4-chlorobenzoate

IUPAC name

(1-methylpiperidin-4-ylidene)amino 4-chlorobenzoate

SMILES

CN(CC1)CCC1=NOC(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C13H15ClN2O2/c1-16-8-6-12(7-9-16)15-18-13(17)10-2-4-11(14)5-3-10/h2-5H,6-9H2,1H3

InChI Key

IVUMWYRSDKUVLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00441362

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

266.73

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.976

Distribution Coefficient, logD

1.635

Water Solubility, LogSw

-2.75

Polar Surface Area

35.965

Acid Dissociation Constant (pKa)

26.08

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

0413-0233 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0413-0233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0413-0233?
Check Price and Availability of 0413-0233, 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 0413-0233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0413-0233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0413-0233
  • 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 0413-0233 available by request