K783-6481 Screening compound: 3-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-(3-methoxyphenyl)thiourea

K783-6481 Screening compound: 3-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-(3-methoxyphenyl)thiourea
K783-6481 Screening compound: 3-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-(3-methoxyphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-6481
3-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-(3-methoxyphenyl)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

K783-6481

Molecular Formula

C17H17ClN2OS2 (C17 H17 ClN2 OS2)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(NC(NC2c(cc(cc3)Cl)c3SCC2)=S)c1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.807

Distribution Coefficient, logD

4.807

Water Solubility, LogSw

-4.82

Polar Surface Area

27.771

Acid Dissociation Constant (pKa)

14.56

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

K783-6481 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K783-6481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-6481?
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What is the minimum amount of K783-6481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-6481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-6481
  • 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 K783-6481 available by request