K781-6318 Screening compound: N-(3,4-dichlorophenyl)-4-fluoro-3-({4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl}sulfonyl)benzamide

K781-6318 Screening compound: N-(3,4-dichlorophenyl)-4-fluoro-3-({4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl}sulfonyl)benzamide
K781-6318 Screening compound: N-(3,4-dichlorophenyl)-4-fluoro-3-({4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl}sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-6318
N-(3,4-dichlorophenyl)-4-fluoro-3-({4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl}sulfonyl)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

K781-6318

Molecular Formula

C27H28Cl2FN3O6S (C27 H28 Cl2 FN3 O6 S)

Compound Name

N-(3,4-dichlorophenyl)-4-fluoro-3-({4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl}sulfonyl)benzamide

IUPAC name

N-(34-dichlorophenyl)-4-fluoro-3-({4-[(345-trimethoxyphenyl)methyl]piperazin-1-yl}sulfonyl)benzamide

SMILES

COc1cc(CN(CC2)CCN2S(c(cc(cc2)C(Nc(cc3)cc(Cl)c3Cl)=O)c2F)(=O)=O)cc(OC)c1OC

InChI

InChI=1S/C27H28Cl2FN3O6S/c1-37-23-12-17(13-24(38-2)26(23)39-3)16-32-8-10-33(11-9-32)40(35,36)25-14-18(4-7-22(25)30)27(34)31-19-5-6-20(28)21(29)15-19/h4-7,12-15H,8-11,16H2,1-3H3,(H,31,34)

InChI Key

SKPSFPOKZCPUGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15094409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

612.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.862

Distribution Coefficient, logD

4.862

Water Solubility, LogSw

-4.96

Polar Surface Area

81.559

Acid Dissociation Constant (pKa)

5.94

Base Dissociation Constant (pKb)

8.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

K781-6318 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 K781-6318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-6318?
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What is the minimum amount of K781-6318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-6318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-6318
  • 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 K781-6318 available by request