6259-6997 Screening compound: N-[1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide

6259-6997 Screening compound: N-[1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide
6259-6997 Screening compound: N-[1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6259-6997
N-[1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide

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

6259-6997

Molecular Formula

C19H12ClF3N4O5S (C19 H12 ClF3 N4 O5 S)

Compound Name

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

IUPAC name

N-[1-(4-chlorophenyl)-246-trioxo-5-(trifluoromethyl)-1H2H3H4H5H6H7H-pyrrolo[23-d]pyrimidin-5-yl]benzenesulfonamide

SMILES

O=C(C1(C(F)(F)F)NS(c2ccccc2)(=O)=O)NC(N(c(cc2)ccc2Cl)C(N2)=O)=C1C2=O

InChI

InChI=1S/C19H12ClF3N4O5S/c20-10-6-8-11(9-7-10)27-14-13(15(28)25-17(27)30)18(16(29)24-14,19(21,22)23)26-33(31,32)12-4-2-1-3-5-12/h1-9,26H,(H,24,29)(H,25,28,30)/t18-/m0/s1

InChI Key

VFPPDPSKIFZPBS-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03819696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.84

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

2.386

Distribution Coefficient, logD

-1.774

Water Solubility, LogSw

-3.20

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

References: we are preparing a list of scientific research reports with 6259-6997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6259-6997?
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What is the minimum amount of 6259-6997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6259-6997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6259-6997
  • 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 6259-6997 available by request