8610-0497 Screening compound: ethyl 4-{4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethanesulfonyl]-3,5,6-trifluoropyridin-2-yl}piperazine-1-carboxylate

8610-0497 Screening compound: ethyl 4-{4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethanesulfonyl]-3,5,6-trifluoropyridin-2-yl}piperazine-1-carboxylate
8610-0497 Screening compound: ethyl 4-{4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethanesulfonyl]-3,5,6-trifluoropyridin-2-yl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8610-0497
ethyl 4-{4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethanesulfonyl]-3,5,6-trifluoropyridin-2-yl}piperazine-1-carboxylate

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

8610-0497

Molecular Formula

C22H21F3N4O6S (C22 H21 F3 N4 O6 S)

Compound Name

ethyl 4-{4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethanesulfonyl]-3,5,6-trifluoropyridin-2-yl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{4-[2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)ethanesulfonyl]-356-trifluoropyridin-2-yl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1c(nc(c(F)c1S(CCN(C(c2c3cccc2)=O)C3=O)(=O)=O)F)c1F)=O

InChI

InChI=1S/C22H21F3N4O6S/c1-2-35-22(32)28-9-7-27(8-10-28)19-16(24)17(15(23)18(25)26-19)36(33,34)12-11-29-20(30)13-5-3-4-6-14(13)21(29)31/h3-6H,2,7-12H2,1H3

InChI Key

CUXCXTWYPMHPHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08053736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.792

Distribution Coefficient, logD

2.792

Water Solubility, LogSw

-3.39

Polar Surface Area

95.939

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

8610-0497 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8610-0497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8610-0497?
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What is the minimum amount of 8610-0497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8610-0497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8610-0497
  • 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 8610-0497 available by request