8014-1344 Screening compound: 2-fluoro-N-{1-[(furan-2-yl)methyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzamide

8014-1344 Screening compound: 2-fluoro-N-{1-[(furan-2-yl)methyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzamide
8014-1344 Screening compound: 2-fluoro-N-{1-[(furan-2-yl)methyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1344
2-fluoro-N-{1-[(furan-2-yl)methyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzamide

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

8014-1344

Molecular Formula

C19H12F4N4O5 (C19 H12 F4 N4 O5)

Compound Name

2-fluoro-N-{1-[(furan-2-yl)methyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzamide

IUPAC name

2-fluoro-N-{1-[(furan-2-yl)methyl]-246-trioxo-5-(trifluoromethyl)-1H2H3H4H5H6H7H-pyrrolo[23-d]pyrimidin-5-yl}benzamide

SMILES

O=C(c(cccc1)c1F)NC(C(F)(F)F)(C(C(N1)=O)=C(N2)N(Cc3ccco3)C1=O)C2=O

InChI

InChI=1S/C19H12F4N4O5/c20-11-6-2-1-5-10(11)14(28)26-18(19(21,22)23)12-13(24-16(18)30)27(17(31)25-15(12)29)8-9-4-3-7-32-9/h1-7H,8H2,(H,24,30)(H,26,28)(H,25,29,31)/t18-/m0/s1

InChI Key

REJIPJFGHGZNMH-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.920

Distribution Coefficient, logD

-2.526

Water Solubility, LogSw

-2.91

Polar Surface Area

97.962

Acid Dissociation Constant (pKa)

2.95

Base Dissociation Constant (pKb)

-7.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 8014-1344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1344?
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What is the minimum amount of 8014-1344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1344
  • 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 8014-1344 available by request