K786-2742 Screening compound: 3-[(E)-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]-1-[4-(propan-2-yl)phenyl]thiourea

K786-2742 Screening compound: 3-[(E)-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]-1-[4-(propan-2-yl)phenyl]thiourea
K786-2742 Screening compound: 3-[(E)-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]-1-[4-(propan-2-yl)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2742
3-[(E)-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]-1-[4-(propan-2-yl)phenyl]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

K786-2742

Molecular Formula

C22H23FN4S (C22 H23 FN4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)ccc1NC(N/N=C/c1cccn1Cc(cc1)ccc1F)=S

InChI

InChI=1S/C22H23FN4S/c1-16(2)18-7-11-20(12-8-18)25-22(28)26-24-14-21-4-3-13-27(21)15-17-5-9-19(23)10-6-17/h3-14,16H,15H2,1-2H3,(H2,25,26,28)

InChI Key

MSFFUHQNWDFXHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03831389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.328

Distribution Coefficient, logD

6.328

Water Solubility, LogSw

-5.80

Polar Surface Area

33.356

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with K786-2742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2742?
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What is the minimum amount of K786-2742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2742
  • 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 K786-2742 available by request