6259-6315 Screening compound: N-[2,4,6-TRIOXO-1-PHENYL-5-(TRIFLUOROMETHYL)-2,3,4,5,6,7-HEXAHYDRO-1H-PYRROLO[2,3-D]PYRIMIDIN-5-YL]BENZAMIDE

6259-6315 Screening compound: N-[2,4,6-TRIOXO-1-PHENYL-5-(TRIFLUOROMETHYL)-2,3,4,5,6,7-HEXAHYDRO-1H-PYRROLO[2,3-D]PYRIMIDIN-5-YL]BENZAMIDE
6259-6315 Screening compound: N-[2,4,6-TRIOXO-1-PHENYL-5-(TRIFLUOROMETHYL)-2,3,4,5,6,7-HEXAHYDRO-1H-PYRROLO[2,3-D]PYRIMIDIN-5-YL]BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 6259-6315
N-[2,4,6-TRIOXO-1-PHENYL-5-(TRIFLUOROMETHYL)-2,3,4,5,6,7-HEXAHYDRO-1H-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

6259-6315

Molecular Formula

C20H13F3N4O4 (C20 H13 F3 N4 O4)

Compound Name

N-[2,4,6-TRIOXO-1-PHENYL-5-(TRIFLUOROMETHYL)-2,3,4,5,6,7-HEXAHYDRO-1H-PYRROLO[2,3-D]PYRIMIDIN-5-YL]BENZAMIDE

IUPAC name

N-[246-trioxo-1-phenyl-5-(trifluoromethyl)-1H2H3H4H5H6H7H-pyrrolo[23-d]pyrimidin-5-yl]benzamide

SMILES

O=C(c1ccccc1)NC(C(F)(F)F)(C(C(N1)=O)=C(N2)N(c3ccccc3)C1=O)C2=O

InChI

InChI=1S/C20H13F3N4O4/c21-20(22,23)19(26-15(28)11-7-3-1-4-8-11)13-14(24-17(19)30)27(18(31)25-16(13)29)12-9-5-2-6-10-12/h1-10H,(H,24,30)(H,26,28)(H,25,29,31)/t19-/m0/s1

InChI Key

DGNSHDORJARQCX-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03819765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.910

Distribution Coefficient, logD

-2.208

Water Solubility, LogSw

-2.44

Polar Surface Area

89.602

Acid Dissociation Constant (pKa)

3.28

Base Dissociation Constant (pKb)

-8.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

6259-6315 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6259-6315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6259-6315?
Check Price and Availability of 6259-6315, 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 6259-6315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6259-6315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6259-6315
  • 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 6259-6315 available by request