K783-5263 Screening compound: 1-(3-chloro-4-methoxyphenyl)-3-[(E)-[1-(7-ethoxy-1-benzofuran-2-yl)ethylidene]amino]thiourea

K783-5263 Screening compound: 1-(3-chloro-4-methoxyphenyl)-3-[(E)-[1-(7-ethoxy-1-benzofuran-2-yl)ethylidene]amino]thiourea
K783-5263 Screening compound: 1-(3-chloro-4-methoxyphenyl)-3-[(E)-[1-(7-ethoxy-1-benzofuran-2-yl)ethylidene]amino]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-5263
1-(3-chloro-4-methoxyphenyl)-3-[(E)-[1-(7-ethoxy-1-benzofuran-2-yl)ethylidene]amino]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

K783-5263

Molecular Formula

C20H20ClN3O3S (C20 H20 ClN3 O3 S)

Compound Name

1-(3-chloro-4-methoxyphenyl)-3-[(E)-[1-(7-ethoxy-1-benzofuran-2-yl)ethylidene]amino]thiourea

IUPAC name

1-(3-chloro-4-methoxyphenyl)-3-[(E)-[1-(7-ethoxy-1-benzofuran-2-yl)ethylidene]amino]thiourea

SMILES

CCOc1cccc2c1oc(/C(/C)=N/NC(Nc(cc1)cc(Cl)c1OC)=S)c2

InChI

InChI=1S/C20H20ClN3O3S/c1-4-26-17-7-5-6-13-10-18(27-19(13)17)12(2)23-24-20(28)22-14-8-9-16(25-3)15(21)11-14/h5-11H,4H2,1-3H3,(H2,22,24,28)

InChI Key

MTTAUTSGPCCVEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03830488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.473

Distribution Coefficient, logD

5.473

Water Solubility, LogSw

-6.13

Polar Surface Area

53.940

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K783-5263 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 K783-5263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-5263?
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What is the minimum amount of K783-5263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-5263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-5263
  • 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 K783-5263 available by request