G948-2078 Screening compound: 1-{[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl}-N-(tetrahydro-2-furanylmethyl)-4-piperidinecarboxamide

G948-2078 Screening compound: 1-{[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl}-N-(tetrahydro-2-furanylmethyl)-4-piperidinecarboxamide
G948-2078 Screening compound: 1-{[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl}-N-(tetrahydro-2-furanylmethyl)-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G948-2078
1-{[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl}-N-(tetrahydro-2-furanylmethyl)-4-piperidinecarboxamide

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

G948-2078

Molecular Formula

C20H25ClN4O5S (C20 H25 ClN4 O5 S)

Compound Name

1-{[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl}-N-(tetrahydro-2-furanylmethyl)-4-piperidinecarboxamide

IUPAC name

1-[2-chloro-5-(5-methyl-124-oxadiazol-3-yl)benzenesulfonyl]-N-[(oxolan-2-yl)methyl]piperidine-4-carboxamide

SMILES

Cc1nc(-c(cc2)cc(S(N(CC3)CCC3C(NCC3OCCC3)=O)(=O)=O)c2Cl)no1

InChI

InChI=1S/C20H25ClN4O5S/c1-13-23-19(24-30-13)15-4-5-17(21)18(11-15)31(27,28)25-8-6-14(7-9-25)20(26)22-12-16-3-2-10-29-16/h4-5,11,14,16H,2-3,6-10,12H2,1H3,(H,22,26)/t16-/m1/s1

InChI Key

MWDJTMVUHHMOLJ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD15077039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.96

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.096

Distribution Coefficient, logD

2.096

Water Solubility, LogSw

-3.21

Polar Surface Area

95.922

Acid Dissociation Constant (pKa)

13.75

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

G948-2078 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 G948-2078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G948-2078?
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What is the minimum amount of G948-2078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G948-2078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G948-2078
  • 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 G948-2078 available by request