K786-2974 Screening compound: 3-[(E)-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]-1-(2,6-diethylphenyl)thiourea

K786-2974 Screening compound: 3-[(E)-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]-1-(2,6-diethylphenyl)thiourea
K786-2974 Screening compound: 3-[(E)-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]-1-(2,6-diethylphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2974
3-[(E)-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]-1-(2,6-diethylphenyl)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

K786-2974

Molecular Formula

C23H24ClFN4S (C23 H24 ClFN4 S)

Compound Name

3-[(E)-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]-1-(2,6-diethylphenyl)thiourea

IUPAC name

3-[(E)-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]-1-(26-diethylphenyl)thiourea

SMILES

CCc1cccc(CC)c1NC(N/N=C/c1cccn1Cc(ccc(F)c1)c1Cl)=S

InChI

InChI=1S/C23H24ClFN4S/c1-3-16-7-5-8-17(4-2)22(16)27-23(30)28-26-14-20-9-6-12-29(20)15-18-10-11-19(25)13-21(18)24/h5-14H,3-4,15H2,1-2H3,(H2,27,28,30)

InChI Key

XTKFNARCIPOJRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03831460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.99

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.979

Distribution Coefficient, logD

6.979

Water Solubility, LogSw

-6.74

Polar Surface Area

31.960

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with K786-2974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2974?
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What is the minimum amount of K786-2974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2974
  • 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 K786-2974 available by request