8010-3708 Screening compound: {[4-(trifluoromethoxy)phenyl]carbamoyl}methyl 2-methylfuran-3-carboxylate

8010-3708 Screening compound: {[4-(trifluoromethoxy)phenyl]carbamoyl}methyl 2-methylfuran-3-carboxylate
8010-3708 Screening compound: {[4-(trifluoromethoxy)phenyl]carbamoyl}methyl 2-methylfuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3708
{[4-(trifluoromethoxy)phenyl]carbamoyl}methyl 2-methylfuran-3-carboxylate

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

8010-3708

Molecular Formula

C15H12F3NO5 (C15 H12 F3 NO5)

Compound Name

{[4-(trifluoromethoxy)phenyl]carbamoyl}methyl 2-methylfuran-3-carboxylate

IUPAC name

{[4-(trifluoromethoxy)phenyl]carbamoyl}methyl 2-methylfuran-3-carboxylate

SMILES

Cc(occ1)c1C(OCC(Nc(cc1)ccc1OC(F)(F)F)=O)=O

InChI

InChI=1S/C15H12F3NO5/c1-9-12(6-7-22-9)14(21)23-8-13(20)19-10-2-4-11(5-3-10)24-15(16,17)18/h2-7H,8H2,1H3,(H,19,20)

InChI Key

GFJAETMPDMWTET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.26

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.669

Distribution Coefficient, logD

3.669

Water Solubility, LogSw

-3.91

Polar Surface Area

58.415

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8010-3708 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-3708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3708?
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What is the minimum amount of 8010-3708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3708
  • 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 8010-3708 available by request