Y300-0131 Screening compound: methyl 4-chloro-3-(1-methanesulfonylpiperidine-3-amido)benzoate

Y300-0131 Screening compound: methyl 4-chloro-3-(1-methanesulfonylpiperidine-3-amido)benzoate
Y300-0131 Screening compound: methyl 4-chloro-3-(1-methanesulfonylpiperidine-3-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y300-0131
methyl 4-chloro-3-(1-methanesulfonylpiperidine-3-amido)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

Y300-0131

Molecular Formula

C15H19ClN2O5S (C15 H19 ClN2 O5 S)

Compound Name

methyl 4-chloro-3-(1-methanesulfonylpiperidine-3-amido)benzoate

IUPAC name

methyl 4-chloro-3-(1-methanesulfonylpiperidine-3-amido)benzoate

SMILES

COC(c(cc1)cc(NC(C(CCC2)CN2S(C)(=O)=O)=O)c1Cl)=O

InChI

InChI=1S/C15H19ClN2O5S/c1-23-15(20)10-5-6-12(16)13(8-10)17-14(19)11-4-3-7-18(9-11)24(2,21)22/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,17,19)/t11-/m0/s1

InChI Key

CZTVGNJMQLWSSH-NSHDSACASA-N

MDL Number (MFCD)

MFCD18485106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.85

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.748

Distribution Coefficient, logD

1.747

Water Solubility, LogSw

-2.92

Polar Surface Area

75.214

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

-3.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

Y300-0131 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y300-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y300-0131?
Check Price and Availability of Y300-0131, 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 Y300-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y300-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y300-0131
  • 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 Y300-0131 available by request