4771-0110 Screening compound: 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)urea

4771-0110 Screening compound: 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)urea
4771-0110 Screening compound: 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4771-0110
3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-(5-methyl-1,2-oxazol-3-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

4771-0110

Molecular Formula

C8H7F6N3O2 (C8 H7 F6 N3 O2)

Compound Name

3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)urea

IUPAC name

3-(111333-hexafluoropropan-2-yl)-1-(5-methyl-12-oxazol-3-yl)urea

SMILES

Cc1cc(NC(NC(C(F)(F)F)C(F)(F)F)=O)no1

InChI

InChI=1S/C8H7F6N3O2/c1-3-2-4(17-19-3)15-6(18)16-5(7(9,10)11)8(12,13)14/h2,5H,1H3,(H2,15,16,17,18)

InChI Key

GETWVIWWBKOQNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01347753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.15

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

2.517

Distribution Coefficient, logD

1.763

Water Solubility, LogSw

-2.75

Polar Surface Area

55.283

Acid Dissociation Constant (pKa)

6.73

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

4771-0110 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 4771-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4771-0110?
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What is the minimum amount of 4771-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4771-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4771-0110
  • 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 4771-0110 available by request