D356-1462 Screening compound: methyl 3-{1-[(3-chlorophenyl)methanesulfonyl]piperidine-4-amido}-2-methylbenzoate

D356-1462 Screening compound: methyl 3-{1-[(3-chlorophenyl)methanesulfonyl]piperidine-4-amido}-2-methylbenzoate
D356-1462 Screening compound: methyl 3-{1-[(3-chlorophenyl)methanesulfonyl]piperidine-4-amido}-2-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D356-1462
methyl 3-{1-[(3-chlorophenyl)methanesulfonyl]piperidine-4-amido}-2-methylbenzoate

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

D356-1462

Molecular Formula

C22H25ClN2O5S (C22 H25 ClN2 O5 S)

Compound Name

methyl 3-{1-[(3-chlorophenyl)methanesulfonyl]piperidine-4-amido}-2-methylbenzoate

IUPAC name

methyl 3-{1-[(3-chlorophenyl)methanesulfonyl]piperidine-4-amido}-2-methylbenzoate

SMILES

Cc(c(C(OC)=O)ccc1)c1NC(C(CC1)CCN1S(Cc1cccc(Cl)c1)(=O)=O)=O

InChI

InChI=1S/C22H25ClN2O5S/c1-15-19(22(27)30-2)7-4-8-20(15)24-21(26)17-9-11-25(12-10-17)31(28,29)14-16-5-3-6-18(23)13-16/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,26)

InChI Key

GNPOMECBGFOMKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14823466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.97

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.568

Distribution Coefficient, logD

3.568

Water Solubility, LogSw

-3.91

Polar Surface Area

75.411

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D356-1462 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D356-1462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D356-1462?
Check Price and Availability of D356-1462, 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 D356-1462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D356-1462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D356-1462
  • 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 D356-1462 available by request