8610-0510 Screening compound: ethyl 4-{3,5,6-trifluoro-4-[2-(phenylamino)ethanesulfonyl]pyridin-2-yl}piperazine-1-carboxylate

8610-0510 Screening compound: ethyl 4-{3,5,6-trifluoro-4-[2-(phenylamino)ethanesulfonyl]pyridin-2-yl}piperazine-1-carboxylate
8610-0510 Screening compound: ethyl 4-{3,5,6-trifluoro-4-[2-(phenylamino)ethanesulfonyl]pyridin-2-yl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8610-0510
ethyl 4-{3,5,6-trifluoro-4-[2-(phenylamino)ethanesulfonyl]pyridin-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

8610-0510

Molecular Formula

C20H23F3N4O4S (C20 H23 F3 N4 O4 S)

Compound Name

ethyl 4-{3,5,6-trifluoro-4-[2-(phenylamino)ethanesulfonyl]pyridin-2-yl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{356-trifluoro-4-[2-(phenylamino)ethanesulfonyl]pyridin-2-yl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1c(nc(c(F)c1S(CCNc2ccccc2)(=O)=O)F)c1F)=O

InChI

InChI=1S/C20H23F3N4O4S/c1-2-31-20(28)27-11-9-26(10-12-27)19-16(22)17(15(21)18(23)25-19)32(29,30)13-8-24-14-6-4-3-5-7-14/h3-7,24H,2,8-13H2,1H3

InChI Key

OXKISDZJCPDLIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08053749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.382

Distribution Coefficient, logD

3.382

Water Solubility, LogSw

-3.59

Polar Surface Area

76.784

Acid Dissociation Constant (pKa)

20.92

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8610-0510 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8610-0510 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8610-0510?
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What is the minimum amount of 8610-0510 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8610-0510
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8610-0510
  • 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 8610-0510 available by request