K783-6478 Screening compound: 3-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-(3-chloro-4-methylphenyl)thiourea

K783-6478 Screening compound: 3-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-(3-chloro-4-methylphenyl)thiourea
K783-6478 Screening compound: 3-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-(3-chloro-4-methylphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-6478
3-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-(3-chloro-4-methylphenyl)thiourea

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

K783-6478

Molecular Formula

C17H16Cl2N2S2 (C17 H16 Cl2 N2 S2)

Compound Name

3-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-(3-chloro-4-methylphenyl)thiourea

IUPAC name

3-(6-chloro-34-dihydro-2H-1-benzothiopyran-4-yl)-1-(3-chloro-4-methylphenyl)thiourea

SMILES

Cc(ccc(NC(NC1c(cc(cc2)Cl)c2SCC1)=S)c1)c1Cl

InChI

InChI=1S/C17H16Cl2N2S2/c1-10-2-4-12(9-14(10)19)20-17(22)21-15-6-7-23-16-5-3-11(18)8-13(15)16/h2-5,8-9,15H,6-7H2,1H3,(H2,20,21,22)/t15-/m0/s1

InChI Key

MWZFBXHNAGGSBX-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15096428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.131

Distribution Coefficient, logD

6.131

Water Solubility, LogSw

-6.34

Polar Surface Area

20.227

Acid Dissociation Constant (pKa)

13.54

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

K783-6478 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K783-6478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-6478?
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What is the minimum amount of K783-6478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-6478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-6478
  • 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 K783-6478 available by request