E786-2245 Screening compound: 2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(2-methoxyphenyl)benzene-1-sulfonamide

E786-2245 Screening compound: 2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(2-methoxyphenyl)benzene-1-sulfonamide
E786-2245 Screening compound: 2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(2-methoxyphenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-2245
2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(2-methoxyphenyl)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

E786-2245

Molecular Formula

C21H16FN3O5S (C21 H16 FN3 O5 S)

Compound Name

2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(2-methoxyphenyl)benzene-1-sulfonamide

IUPAC name

2-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)-5-fluoro-N-(2-methoxyphenyl)benzene-1-sulfonamide

SMILES

COc(cccc1)c1NS(c1c(CN(C(c2c3nccc2)=O)C3=O)ccc(F)c1)(=O)=O

InChI

InChI=1S/C21H16FN3O5S/c1-30-17-7-3-2-6-16(17)24-31(28,29)18-11-14(22)9-8-13(18)12-25-20(26)15-5-4-10-23-19(15)21(25)27/h2-11,24H,12H2,1H3

InChI Key

HPIXXZKJARVXCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.861

Distribution Coefficient, logD

1.049

Water Solubility, LogSw

-2.88

Polar Surface Area

86.983

Acid Dissociation Constant (pKa)

6.66

Base Dissociation Constant (pKb)

-6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with E786-2245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-2245?
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What is the minimum amount of E786-2245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-2245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-2245
  • 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 E786-2245 available by request