4770-1404 Screening compound: 3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-1-(3-methylpyridin-2-yl)urea

4770-1404 Screening compound: 3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-1-(3-methylpyridin-2-yl)urea
4770-1404 Screening compound: 3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-1-(3-methylpyridin-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4770-1404
3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-1-(3-methylpyridin-2-yl)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

4770-1404

Molecular Formula

C11H11F6N3O (C11 H11 F6 N3 O)

Compound Name

3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-1-(3-methylpyridin-2-yl)urea

IUPAC name

3-(111333-hexafluoro-2-methylpropan-2-yl)-1-(3-methylpyridin-2-yl)urea

SMILES

CC(C(F)(F)F)(C(F)(F)F)NC(Nc1ncccc1C)=O

InChI

InChI=1S/C11H11F6N3O/c1-6-4-3-5-18-7(6)19-8(21)20-9(2,10(12,13)14)11(15,16)17/h3-5H,1-2H3,(H2,18,19,20,21)

InChI Key

PRWSJRJLQOBVQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00575448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.22

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.484

Distribution Coefficient, logD

1.129

Water Solubility, LogSw

-3.51

Polar Surface Area

43.024

Acid Dissociation Constant (pKa)

5.67

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

4770-1404 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with 4770-1404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4770-1404?
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What is the minimum amount of 4770-1404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4770-1404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4770-1404
  • 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 4770-1404 available by request