7591-0366 Screening compound: 2-chloro-N-[2,4,6-trioxo-1-(2-phenylethyl)-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide

7591-0366 Screening compound: 2-chloro-N-[2,4,6-trioxo-1-(2-phenylethyl)-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
7591-0366 Screening compound: 2-chloro-N-[2,4,6-trioxo-1-(2-phenylethyl)-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0366
2-chloro-N-[2,4,6-trioxo-1-(2-phenylethyl)-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide

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

7591-0366

Molecular Formula

C17H14ClF3N4O4 (C17 H14 ClF3 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCl)NC(C(F)(F)F)(C(C(N1)=O)=C(N2)N(CCc3ccccc3)C1=O)C2=O

InChI

InChI=1S/C17H14ClF3N4O4/c18-8-10(26)24-16(17(19,20)21)11-12(22-14(16)28)25(15(29)23-13(11)27)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,22,28)(H,24,26)(H,23,27,29)/t16-/m0/s1

InChI Key

ZRMPQJZQFBDAHO-INIZCTEOSA-N

MDL Number (MFCD)

MFCD28992918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.77

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

1.569

Distribution Coefficient, logD

-1.806

Water Solubility, LogSw

-1.94

Polar Surface Area

90.250

Acid Dissociation Constant (pKa)

4.02

Base Dissociation Constant (pKb)

-6.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

7591-0366 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 7591-0366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0366?
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What is the minimum amount of 7591-0366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0366
  • 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 7591-0366 available by request