P111-0172 Screening compound: methyl 4-chloro-2-{[3-(propanamidomethyl)piperidine-1-carbonyl]amino}benzoate

P111-0172 Screening compound: methyl 4-chloro-2-{[3-(propanamidomethyl)piperidine-1-carbonyl]amino}benzoate
P111-0172 Screening compound: methyl 4-chloro-2-{[3-(propanamidomethyl)piperidine-1-carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P111-0172
methyl 4-chloro-2-{[3-(propanamidomethyl)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

P111-0172

Molecular Formula

C18H24ClN3O4 (C18 H24 ClN3 O4)

Compound Name

methyl 4-chloro-2-{[3-(propanamidomethyl)piperidine-1-carbonyl]amino}benzoate

IUPAC name

methyl 4-chloro-2-{[3-(propanamidomethyl)piperidine-1-carbonyl]amino}benzoate

SMILES

CCC(NCC(CCC1)CN1C(Nc(cc(cc1)Cl)c1C(OC)=O)=O)=O

InChI

InChI=1S/C18H24ClN3O4/c1-3-16(23)20-10-12-5-4-8-22(11-12)18(25)21-15-9-13(19)6-7-14(15)17(24)26-2/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,20,23)(H,21,25)/t12-/m1/s1

InChI Key

WDBVYZMBZFDHDI-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD27564998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.555

Distribution Coefficient, logD

2.497

Water Solubility, LogSw

-3.51

Polar Surface Area

70.589

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

P111-0172 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P111-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P111-0172?
Check Price and Availability of P111-0172, 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 P111-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P111-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P111-0172
  • 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 P111-0172 available by request