K788-0855 Screening compound: 1-(4-methoxyphenyl)-3-[(E)-({4-[methyl(propyl)amino]phenyl}methylidene)amino]thiourea

K788-0855 Screening compound: 1-(4-methoxyphenyl)-3-[(E)-({4-[methyl(propyl)amino]phenyl}methylidene)amino]thiourea
K788-0855 Screening compound: 1-(4-methoxyphenyl)-3-[(E)-({4-[methyl(propyl)amino]phenyl}methylidene)amino]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-0855
1-(4-methoxyphenyl)-3-[(E)-({4-[methyl(propyl)amino]phenyl}methylidene)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

K788-0855

Molecular Formula

C19H24N4OS (C19 H24 N4 OS)

Compound Name

1-(4-methoxyphenyl)-3-[(E)-({4-[methyl(propyl)amino]phenyl}methylidene)amino]thiourea

IUPAC name

1-(4-methoxyphenyl)-3-[(E)-({4-[methyl(propyl)amino]phenyl}methylidene)amino]thiourea

SMILES

CCCN(C)c1ccc(/C=N/NC(Nc(cc2)ccc2OC)=S)cc1

InChI

InChI=1S/C19H24N4OS/c1-4-13-23(2)17-9-5-15(6-10-17)14-20-22-19(25)21-16-7-11-18(24-3)12-8-16/h5-12,14H,4,13H2,1-3H3,(H2,21,22,25)

InChI Key

UXYAOPUGGQVDQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03834327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.563

Distribution Coefficient, logD

4.562

Water Solubility, LogSw

-4.20

Polar Surface Area

42.034

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

8.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

K788-0855 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 K788-0855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-0855?
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What is the minimum amount of K788-0855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-0855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-0855
  • 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 K788-0855 available by request