K786-2709 Screening compound: 3-[(E)-({1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]-1-(4-methoxyphenyl)thiourea

K786-2709 Screening compound: 3-[(E)-({1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]-1-(4-methoxyphenyl)thiourea
K786-2709 Screening compound: 3-[(E)-({1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]-1-(4-methoxyphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2709
3-[(E)-({1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]-1-(4-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

K786-2709

Molecular Formula

C20H19FN4OS (C20 H19 FN4 OS)

Compound Name

3-[(E)-({1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]-1-(4-methoxyphenyl)thiourea

IUPAC name

3-[(E)-({1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]-1-(4-methoxyphenyl)thiourea

SMILES

COc(cc1)ccc1NC(N/N=C/c1cccn1Cc(cccc1)c1F)=S

InChI

InChI=1S/C20H19FN4OS/c1-26-18-10-8-16(9-11-18)23-20(27)24-22-13-17-6-4-12-25(17)14-15-5-2-3-7-19(15)21/h2-13H,14H2,1H3,(H2,23,24,27)

InChI Key

FFOPLJKQTDEZBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03831364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.248

Distribution Coefficient, logD

5.248

Water Solubility, LogSw

-5.16

Polar Surface Area

40.900

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

K786-2709 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K786-2709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2709?
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What is the minimum amount of K786-2709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2709
  • 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 K786-2709 available by request