6165-0237 Screening compound: 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}-2,2-dimethylpropanamide

6165-0237 Screening compound: 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}-2,2-dimethylpropanamide
6165-0237 Screening compound: 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}-2,2-dimethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6165-0237
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}-2,2-dimethylpropanamide

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

6165-0237

Molecular Formula

C17H17F3N4O5 (C17 H17 F3 N4 O5)

Compound Name

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}-2,2-dimethylpropanamide

IUPAC name

N-{1-[(furan-2-yl)methyl]-246-trioxo-5-(trifluoromethyl)-1H2H3H4H5H6H7H-pyrrolo[23-d]pyrimidin-5-yl}-22-dimethylpropanamide

SMILES

CC(C)(C)C(NC(C(F)(F)F)(C(C(N1)=O)=C(N2)N(Cc3ccco3)C1=O)C2=O)=O

InChI

InChI=1S/C17H17F3N4O5/c1-15(2,3)12(26)23-16(17(18,19)20)9-10(21-13(16)27)24(14(28)22-11(9)25)7-8-5-4-6-29-8/h4-6H,7H2,1-3H3,(H,21,27)(H,23,26)(H,22,25,28)/t16-/m0/s1

InChI Key

QBKUVWSVPYWYIN-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03941140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.34

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

1.528

Distribution Coefficient, logD

-0.975

Water Solubility, LogSw

-2.11

Polar Surface Area

98.234

Acid Dissociation Constant (pKa)

4.90

Base Dissociation Constant (pKb)

-4.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

6165-0237 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6165-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6165-0237?
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What is the minimum amount of 6165-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6165-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6165-0237
  • 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 6165-0237 available by request