E632-0112 Screening compound: methyl 4-({4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate

E632-0112 Screening compound: methyl 4-({4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate
E632-0112 Screening compound: methyl 4-({4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E632-0112
methyl 4-({4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate

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

E632-0112

Molecular Formula

C21H31N3O3 (C21 H31 N3 O3)

Compound Name

methyl 4-({4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate

IUPAC name

methyl 4-({4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate

SMILES

CC1CCN(CC(CC2)CCN2C(Nc(cc2)ccc2C(OC)=O)=O)CC1

InChI

InChI=1S/C21H31N3O3/c1-16-7-11-23(12-8-16)15-17-9-13-24(14-10-17)21(26)22-19-5-3-18(4-6-19)20(25)27-2/h3-6,16-17H,7-15H2,1-2H3,(H,22,26)

InChI Key

PSKJBNCLAJVZNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14905572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.607

Distribution Coefficient, logD

0.666

Water Solubility, LogSw

-3.70

Polar Surface Area

50.614

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

10.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

E632-0112 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E632-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E632-0112?
Check Price and Availability of E632-0112, 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 E632-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E632-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E632-0112
  • 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 E632-0112 available by request