K783-5262 Screening compound: 3-[(E)-[1-(7-ethoxy-1-benzofuran-2-yl)ethylidene]amino]-1-(4-methylphenyl)thiourea

K783-5262 Screening compound: 3-[(E)-[1-(7-ethoxy-1-benzofuran-2-yl)ethylidene]amino]-1-(4-methylphenyl)thiourea
K783-5262 Screening compound: 3-[(E)-[1-(7-ethoxy-1-benzofuran-2-yl)ethylidene]amino]-1-(4-methylphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-5262
3-[(E)-[1-(7-ethoxy-1-benzofuran-2-yl)ethylidene]amino]-1-(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

K783-5262

Molecular Formula

C20H21N3O2S (C20 H21 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cccc2c1oc(/C(/C)=N/NC(Nc1ccc(C)cc1)=S)c2

InChI

InChI=1S/C20H21N3O2S/c1-4-24-17-7-5-6-15-12-18(25-19(15)17)14(3)22-23-20(26)21-16-10-8-13(2)9-11-16/h5-12H,4H2,1-3H3,(H2,21,23,26)

InChI Key

NUNLLAVBJFEORU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03830487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.386

Distribution Coefficient, logD

5.386

Water Solubility, LogSw

-6.17

Polar Surface Area

46.309

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K783-5262 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 K783-5262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-5262?
Check Price and Availability of K783-5262, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K783-5262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-5262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-5262
  • 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 K783-5262 available by request