K783-6441 Screening compound: N-(2-CHLOROPHENYL)-4-[(4-FLUOROPHENYL)METHYL]-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZINE-6-CARBOXAMIDE

K783-6441 Screening compound: N-(2-CHLOROPHENYL)-4-[(4-FLUOROPHENYL)METHYL]-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZINE-6-CARBOXAMIDE
K783-6441 Screening compound: N-(2-CHLOROPHENYL)-4-[(4-FLUOROPHENYL)METHYL]-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZINE-6-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-6441
N-(2-CHLOROPHENYL)-4-[(4-FLUOROPHENYL)METHYL]-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZINE-6-CARBOXAMIDE

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

K783-6441

Molecular Formula

C22H16ClFN2O2S (C22 H16 ClFN2 O2 S)

Compound Name

N-(2-CHLOROPHENYL)-4-[(4-FLUOROPHENYL)METHYL]-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZINE-6-CARBOXAMIDE

IUPAC name

n/a

SMILES

O=C(c(cc1)cc(N2Cc(cc3)ccc3F)c1SCC2=O)Nc(cccc1)c1Cl

InChI

InChI=1S/C22H16ClFN2O2S/c23-17-3-1-2-4-18(17)25-22(28)15-7-10-20-19(11-15)26(21(27)13-29-20)12-14-5-8-16(24)9-6-14/h1-11H,12-13H2,(H,25,28)

InChI Key

ZCEGCHLRHJWXQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15096412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.582

Distribution Coefficient, logD

4.581

Water Solubility, LogSw

-4.64

Polar Surface Area

38.012

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

-3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

K783-6441 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K783-6441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-6441?
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What is the minimum amount of K783-6441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-6441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-6441
  • 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 K783-6441 available by request