8017-6334 Screening compound: 5-chloro-3-cyano-N~2~-(3,4-diethoxyphenethyl)-4,6-dimethyl-2-pyridinesulfonamide

8017-6334 Screening compound: 5-chloro-3-cyano-N~2~-(3,4-diethoxyphenethyl)-4,6-dimethyl-2-pyridinesulfonamide
8017-6334 Screening compound: 5-chloro-3-cyano-N~2~-(3,4-diethoxyphenethyl)-4,6-dimethyl-2-pyridinesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6334
5-chloro-3-cyano-N~2~-(3,4-diethoxyphenethyl)-4,6-dimethyl-2-pyridinesulfonamide

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

8017-6334

Molecular Formula

C20H24ClN3O4S (C20 H24 ClN3 O4 S)

Compound Name

5-chloro-3-cyano-N~2~-(3,4-diethoxyphenethyl)-4,6-dimethyl-2-pyridinesulfonamide

IUPAC name

5-chloro-3-cyano-N-[2-(34-diethoxyphenyl)ethyl]-46-dimethylpyridine-2-sulfonamide

SMILES

CCOc(ccc(CCNS(c(c(C#N)c1C)nc(C)c1Cl)(=O)=O)c1)c1OCC

InChI

InChI=1S/C20H24ClN3O4S/c1-5-27-17-8-7-15(11-18(17)28-6-2)9-10-23-29(25,26)20-16(12-22)13(3)19(21)14(4)24-20/h7-8,11,23H,5-6,9-10H2,1-4H3

InChI Key

BPXTXQYXAQIHMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.479

Distribution Coefficient, logD

3.479

Water Solubility, LogSw

-4.81

Polar Surface Area

83.053

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

-5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8017-6334 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 8017-6334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6334?
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What is the minimum amount of 8017-6334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6334
  • 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 8017-6334 available by request