2742-4895 Screening compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)thiourea

2742-4895 Screening compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)thiourea
2742-4895 Screening compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 2742-4895
3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)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

2742-4895

Molecular Formula

C17H19FN2O2S (C17 H19 FN2 O2 S)

Compound Name

3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)thiourea

IUPAC name

3-[2-(34-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)thiourea

SMILES

COc(ccc(CCNC(Nc(cc1)ccc1F)=S)c1)c1OC

InChI

InChI=1S/C17H19FN2O2S/c1-21-15-8-3-12(11-16(15)22-2)9-10-19-17(23)20-14-6-4-13(18)5-7-14/h3-8,11H,9-10H2,1-2H3,(H2,19,20,23)

InChI Key

ZXNGMTFYMAUGAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01764720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.815

Distribution Coefficient, logD

2.815

Water Solubility, LogSw

-3.37

Polar Surface Area

35.485

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

2742-4895 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 2742-4895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2742-4895?
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What is the minimum amount of 2742-4895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2742-4895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2742-4895
  • 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 2742-4895 available by request