K781-9731 Screening compound: N-(2,5-dimethoxyphenyl)-2-fluoro-5-(pyrrolidine-1-sulfonyl)benzamide

K781-9731 Screening compound: N-(2,5-dimethoxyphenyl)-2-fluoro-5-(pyrrolidine-1-sulfonyl)benzamide
K781-9731 Screening compound: N-(2,5-dimethoxyphenyl)-2-fluoro-5-(pyrrolidine-1-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-9731
N-(2,5-dimethoxyphenyl)-2-fluoro-5-(pyrrolidine-1-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

K781-9731

Molecular Formula

C19H21FN2O5S (C19 H21 FN2 O5 S)

Compound Name

N-(2,5-dimethoxyphenyl)-2-fluoro-5-(pyrrolidine-1-sulfonyl)benzamide

IUPAC name

N-(25-dimethoxyphenyl)-2-fluoro-5-(pyrrolidine-1-sulfonyl)benzamide

SMILES

COc(cc1)cc(NC(c(cc(cc2)S(N3CCCC3)(=O)=O)c2F)=O)c1OC

InChI

InChI=1S/C19H21FN2O5S/c1-26-13-5-8-18(27-2)17(11-13)21-19(23)15-12-14(6-7-16(15)20)28(24,25)22-9-3-4-10-22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,23)

InChI Key

NIABQZYKCBQOFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15095473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.002

Distribution Coefficient, logD

2.582

Water Solubility, LogSw

-3.68

Polar Surface Area

69.883

Acid Dissociation Constant (pKa)

7.19

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

K781-9731 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K781-9731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-9731?
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What is the minimum amount of K781-9731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-9731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-9731
  • 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 K781-9731 available by request