1682-3723 Screening compound: 3,3-bis(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]urea

1682-3723 Screening compound: 3,3-bis(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]urea
1682-3723 Screening compound: 3,3-bis(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-3723
3,3-bis(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]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

1682-3723

Molecular Formula

C16H23F3N2O (C16 H23 F3 N2 O)

Compound Name

3,3-bis(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]urea

IUPAC name

33-bis(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]urea

SMILES

CC(C)CN(CC(C)C)C(Nc1c(C(F)(F)F)cccc1)=O

InChI

InChI=1S/C16H23F3N2O/c1-11(2)9-21(10-12(3)4)15(22)20-14-8-6-5-7-13(14)16(17,18)19/h5-8,11-12H,9-10H2,1-4H3,(H,20,22)

InChI Key

JFPINGXYWRSDCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00587646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.108

Distribution Coefficient, logD

5.108

Water Solubility, LogSw

-4.90

Polar Surface Area

24.844

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

1682-3723 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 1682-3723 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-3723?
Check Price and Availability of 1682-3723, 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 1682-3723 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-3723
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-3723
  • 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 1682-3723 available by request