4492-0030 Screening compound: 1-benzyl-1-[(4-fluorophenyl)methyl]-3-(prop-2-en-1-yl)thiourea

4492-0030 Screening compound: 1-benzyl-1-[(4-fluorophenyl)methyl]-3-(prop-2-en-1-yl)thiourea
4492-0030 Screening compound: 1-benzyl-1-[(4-fluorophenyl)methyl]-3-(prop-2-en-1-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4492-0030
1-benzyl-1-[(4-fluorophenyl)methyl]-3-(prop-2-en-1-yl)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

4492-0030

Molecular Formula

C18H19FN2S (C18 H19 FN2 S)

Compound Name

1-benzyl-1-[(4-fluorophenyl)methyl]-3-(prop-2-en-1-yl)thiourea

IUPAC name

1-benzyl-1-[(4-fluorophenyl)methyl]-3-(prop-2-en-1-yl)thiourea

SMILES

C=CCNC(N(Cc1ccccc1)Cc(cc1)ccc1F)=S

InChI

InChI=1S/C18H19FN2S/c1-2-12-20-18(22)21(13-15-6-4-3-5-7-15)14-16-8-10-17(19)11-9-16/h2-11H,1,12-14H2,(H,20,22)

InChI Key

MMROUTXCBZOQOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02609553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.43

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.816

Distribution Coefficient, logD

3.816

Water Solubility, LogSw

-4.10

Polar Surface Area

11.863

Acid Dissociation Constant (pKa)

16.71

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4492-0030 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4492-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4492-0030?
Check Price and Availability of 4492-0030, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4492-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4492-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4492-0030
  • 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 4492-0030 available by request