6165-0149 Screening compound: 2-fluoro-N-[2,4,6-trioxo-1-(2-phenylethyl)-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide

6165-0149 Screening compound: 2-fluoro-N-[2,4,6-trioxo-1-(2-phenylethyl)-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
6165-0149 Screening compound: 2-fluoro-N-[2,4,6-trioxo-1-(2-phenylethyl)-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 6165-0149
2-fluoro-N-[2,4,6-trioxo-1-(2-phenylethyl)-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

6165-0149

Molecular Formula

C22H16F4N4O4 (C22 H16 F4 N4 O4)

Compound Name

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

IUPAC name

2-fluoro-N-[246-trioxo-1-(2-phenylethyl)-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(CCc3ccccc3)C1=O)C2=O

InChI

InChI=1S/C22H16F4N4O4/c23-14-9-5-4-8-13(14)17(31)29-21(22(24,25)26)15-16(27-19(21)33)30(20(34)28-18(15)32)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,27,33)(H,29,31)(H,28,32,34)/t21-/m0/s1

InChI Key

JOGMLVQCBBZDLY-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03941094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.766

Distribution Coefficient, logD

-1.680

Water Solubility, LogSw

-3.62

Polar Surface Area

90.192

Acid Dissociation Constant (pKa)

2.95

Base Dissociation Constant (pKb)

-7.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 6165-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6165-0149?
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What is the minimum amount of 6165-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6165-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6165-0149
  • 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 6165-0149 available by request