4770-1673 Screening compound: 3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-1-(pyrimidin-2-yl)urea

4770-1673 Screening compound: 3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-1-(pyrimidin-2-yl)urea
4770-1673 Screening compound: 3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-1-(pyrimidin-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4770-1673
3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-1-(pyrimidin-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

4770-1673

Molecular Formula

C9H8F6N4O (C9 H8 F6 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C(F)(F)F)(C(F)(F)F)NC(Nc1ncccn1)=O

InChI

InChI=1S/C9H8F6N4O/c1-7(8(10,11)12,9(13,14)15)19-6(20)18-5-16-3-2-4-17-5/h2-4H,1H3,(H2,16,17,18,19,20)

InChI Key

QSEJOZAGULTILJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00756379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.18

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.000

Distribution Coefficient, logD

-0.071

Water Solubility, LogSw

-2.43

Polar Surface Area

53.906

Acid Dissociation Constant (pKa)

5.33

Base Dissociation Constant (pKb)

1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

4770-1673 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4770-1673 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4770-1673?
Check Price and Availability of 4770-1673, 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 4770-1673 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4770-1673
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4770-1673
  • 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 4770-1673 available by request