6165-0319 Screening compound: 4-chloro-N-[1-(4-fluorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzene-1-sulfonamide

6165-0319 Screening compound: 4-chloro-N-[1-(4-fluorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzene-1-sulfonamide
6165-0319 Screening compound: 4-chloro-N-[1-(4-fluorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6165-0319
4-chloro-N-[1-(4-fluorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzene-1-sulfonamide

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

6165-0319

Molecular Formula

C19H11ClF4N4O5S (C19 H11 ClF4 N4 O5 S)

Compound Name

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

IUPAC name

4-chloro-N-[1-(4-fluorophenyl)-246-trioxo-5-(trifluoromethyl)-1H2H3H4H5H6H7H-pyrrolo[23-d]pyrimidin-5-yl]benzene-1-sulfonamide

SMILES

O=C(C1(C(F)(F)F)NS(c(cc2)ccc2Cl)(=O)=O)NC(N(c(cc2)ccc2F)C(N2)=O)=C1C2=O

InChI

InChI=1S/C19H11ClF4N4O5S/c20-9-1-7-12(8-2-9)34(32,33)27-18(19(22,23)24)13-14(25-16(18)30)28(17(31)26-15(13)29)11-5-3-10(21)4-6-11/h1-8,27H,(H,25,30)(H,26,29,31)/t18-/m0/s1

InChI Key

NFBPOUUUPVFMIL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03941177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.83

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.600

Distribution Coefficient, logD

-1.559

Water Solubility, LogSw

-3.52

Polar Surface Area

107.160

Acid Dissociation Constant (pKa)

3.24

Base Dissociation Constant (pKb)

-9.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

6165-0319 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 6165-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6165-0319?
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What is the minimum amount of 6165-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6165-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6165-0319
  • 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 6165-0319 available by request