6165-0144 Screening compound: 2-METHYL-N-[2,4,6-TRIOXO-1-PHENETHYL-5-(TRIFLUOROMETHYL)-2,3,4,5,6,7-HEXAHYDRO-1H-PYRROLO[2,3-D]PYRIMIDIN-5-YL]BENZAMIDE

6165-0144 Screening compound: 2-METHYL-N-[2,4,6-TRIOXO-1-PHENETHYL-5-(TRIFLUOROMETHYL)-2,3,4,5,6,7-HEXAHYDRO-1H-PYRROLO[2,3-D]PYRIMIDIN-5-YL]BENZAMIDE
6165-0144 Screening compound: 2-METHYL-N-[2,4,6-TRIOXO-1-PHENETHYL-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 6165-0144
2-METHYL-N-[2,4,6-TRIOXO-1-PHENETHYL-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

6165-0144

Molecular Formula

C23H19F3N4O4 (C23 H19 F3 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1C(NC(C(F)(F)F)(C(C(N1)=O)=C(N2)N(CCc3ccccc3)C1=O)C2=O)=O

InChI

InChI=1S/C23H19F3N4O4/c1-13-7-5-6-10-15(13)18(31)29-22(23(24,25)26)16-17(27-20(22)33)30(21(34)28-19(16)32)12-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,27,33)(H,29,31)(H,28,32,34)/t22-/m0/s1

InChI Key

SQSVLPRIDHRKMM-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03941090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.42

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

3.002

Distribution Coefficient, logD

-1.043

Water Solubility, LogSw

-3.54

Polar Surface Area

90.192

Acid Dissociation Constant (pKa)

3.36

Base Dissociation Constant (pKb)

-6.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.74

6165-0144 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 6165-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6165-0144?
Check Price and Availability of 6165-0144, 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 6165-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6165-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6165-0144
  • 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 6165-0144 available by request