K781-7667 Screening compound: N-(4-bromo-2-fluorophenyl)-5-(2,3-dihydro-1H-indole-1-sulfonyl)-2-fluorobenzamide

K781-7667 Screening compound: N-(4-bromo-2-fluorophenyl)-5-(2,3-dihydro-1H-indole-1-sulfonyl)-2-fluorobenzamide
K781-7667 Screening compound: N-(4-bromo-2-fluorophenyl)-5-(2,3-dihydro-1H-indole-1-sulfonyl)-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-7667
N-(4-bromo-2-fluorophenyl)-5-(2,3-dihydro-1H-indole-1-sulfonyl)-2-fluorobenzamide

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

K781-7667

Molecular Formula

C21H15BrF2N2O3S (C21 H15 BrF2 N2 O3 S)

Compound Name

N-(4-bromo-2-fluorophenyl)-5-(2,3-dihydro-1H-indole-1-sulfonyl)-2-fluorobenzamide

IUPAC name

N-(4-bromo-2-fluorophenyl)-5-(23-dihydro-1H-indole-1-sulfonyl)-2-fluorobenzamide

SMILES

O=C(c(cc(cc1)S(N(CC2)c3c2cccc3)(=O)=O)c1F)Nc(ccc(Br)c1)c1F

InChI

InChI=1S/C21H15BrF2N2O3S/c22-14-5-8-19(18(24)11-14)25-21(27)16-12-15(6-7-17(16)23)30(28,29)26-10-9-13-3-1-2-4-20(13)26/h1-8,11-12H,9-10H2,(H,25,27)

InChI Key

BROUDJSXHWLOQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04422033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.015

Distribution Coefficient, logD

3.676

Water Solubility, LogSw

-4.81

Polar Surface Area

54.150

Acid Dissociation Constant (pKa)

6.08

Base Dissociation Constant (pKb)

-4.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

K781-7667 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Kinases Annotated Library (2415 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K781-7667 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-7667?
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What is the minimum amount of K781-7667 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-7667
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-7667
  • 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 K781-7667 available by request