P112-0637 Screening compound: 4-methyl-N-{[1-(2,4,5-trimethylbenzenesulfonyl)piperidin-3-yl]methyl}benzamide

P112-0637 Screening compound: 4-methyl-N-{[1-(2,4,5-trimethylbenzenesulfonyl)piperidin-3-yl]methyl}benzamide
P112-0637 Screening compound: 4-methyl-N-{[1-(2,4,5-trimethylbenzenesulfonyl)piperidin-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P112-0637
4-methyl-N-{[1-(2,4,5-trimethylbenzenesulfonyl)piperidin-3-yl]methyl}benzamide

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

P112-0637

Molecular Formula

C23H30N2O3S (C23 H30 N2 O3 S)

Compound Name

4-methyl-N-{[1-(2,4,5-trimethylbenzenesulfonyl)piperidin-3-yl]methyl}benzamide

IUPAC name

n/a

SMILES

Cc(cc1)ccc1C(NCC(CCC1)CN1S(c1c(C)cc(C)c(C)c1)(=O)=O)=O

InChI

InChI=1S/C23H30N2O3S/c1-16-7-9-21(10-8-16)23(26)24-14-20-6-5-11-25(15-20)29(27,28)22-13-18(3)17(2)12-19(22)4/h7-10,12-13,20H,5-6,11,14-15H2,1-4H3,(H,24,26)/t20-/m1/s1

InChI Key

HECKEUPSJJNXCG-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD27565075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.557

Distribution Coefficient, logD

4.557

Water Solubility, LogSw

-4.32

Polar Surface Area

56.296

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.48

References: we are preparing a list of scientific research reports with P112-0637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P112-0637?
Check Price and Availability of P112-0637, 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 P112-0637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P112-0637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P112-0637
  • 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 P112-0637 available by request