D339-0448 Screening compound: 1-cyclohexyl-3-(4-fluorophenyl)-3-[(thiophen-2-yl)methyl]urea

D339-0448 Screening compound: 1-cyclohexyl-3-(4-fluorophenyl)-3-[(thiophen-2-yl)methyl]urea
D339-0448 Screening compound: 1-cyclohexyl-3-(4-fluorophenyl)-3-[(thiophen-2-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D339-0448
1-cyclohexyl-3-(4-fluorophenyl)-3-[(thiophen-2-yl)methyl]urea

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

D339-0448

Molecular Formula

C18H21FN2OS (C18 H21 FN2 OS)

Compound Name

1-cyclohexyl-3-(4-fluorophenyl)-3-[(thiophen-2-yl)methyl]urea

IUPAC name

1-cyclohexyl-3-(4-fluorophenyl)-3-[(thiophen-2-yl)methyl]urea

SMILES

O=C(NC1CCCCC1)N(Cc1cccs1)c(cc1)ccc1F

InChI

InChI=1S/C18H21FN2OS/c19-14-8-10-16(11-9-14)21(13-17-7-4-12-23-17)18(22)20-15-5-2-1-3-6-15/h4,7-12,15H,1-3,5-6,13H2,(H,20,22)

InChI Key

ZNEXRBQPHPHKBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12916473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.44

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.020

Distribution Coefficient, logD

5.020

Water Solubility, LogSw

-4.64

Polar Surface Area

26.476

Acid Dissociation Constant (pKa)

16.89

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

D339-0448 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D339-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D339-0448?
Check Price and Availability of D339-0448, 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 D339-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D339-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D339-0448
  • 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 D339-0448 available by request