K048-0029 Screening compound: 1-(3-fluorophenyl)-3-[(E)-[(2-hydroxy-3-methoxyphenyl)methylidene]amino]thiourea

K048-0029 Screening compound: 1-(3-fluorophenyl)-3-[(E)-[(2-hydroxy-3-methoxyphenyl)methylidene]amino]thiourea
K048-0029 Screening compound: 1-(3-fluorophenyl)-3-[(E)-[(2-hydroxy-3-methoxyphenyl)methylidene]amino]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K048-0029
1-(3-fluorophenyl)-3-[(E)-[(2-hydroxy-3-methoxyphenyl)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

K048-0029

Molecular Formula

C15H14FN3O2S (C15 H14 FN3 O2 S)

Compound Name

1-(3-fluorophenyl)-3-[(E)-[(2-hydroxy-3-methoxyphenyl)methylidene]amino]thiourea

IUPAC name

1-(3-fluorophenyl)-3-[(E)-[(2-hydroxy-3-methoxyphenyl)methylidene]amino]thiourea

SMILES

COc1cccc(/C=N/NC(Nc2cc(F)ccc2)=S)c1O

InChI

InChI=1S/C15H14FN3O2S/c1-21-13-7-2-4-10(14(13)20)9-17-19-15(22)18-12-6-3-5-11(16)8-12/h2-9,20H,1H3,(H2,18,19,22)

InChI Key

VVVNSQMYJIAEJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01248529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.134

Distribution Coefficient, logD

4.132

Water Solubility, LogSw

-4.30

Polar Surface Area

54.395

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

K048-0029 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 K048-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K048-0029?
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What is the minimum amount of K048-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K048-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K048-0029
  • 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 K048-0029 available by request