8610-0529 Screening compound: N-(2-{[2,3,5-trifluoro-6-(pyrrolidin-1-yl)pyridin-4-yl]sulfonyl}ethyl)-3-(trifluoromethyl)aniline

8610-0529 Screening compound: N-(2-{[2,3,5-trifluoro-6-(pyrrolidin-1-yl)pyridin-4-yl]sulfonyl}ethyl)-3-(trifluoromethyl)aniline
8610-0529 Screening compound: N-(2-{[2,3,5-trifluoro-6-(pyrrolidin-1-yl)pyridin-4-yl]sulfonyl}ethyl)-3-(trifluoromethyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8610-0529
N-(2-{[2,3,5-trifluoro-6-(pyrrolidin-1-yl)pyridin-4-yl]sulfonyl}ethyl)-3-(trifluoromethyl)aniline

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

8610-0529

Molecular Formula

C18H17F6N3O2S (C18 H17 F6 N3 O2 S)

Compound Name

N-(2-{[2,3,5-trifluoro-6-(pyrrolidin-1-yl)pyridin-4-yl]sulfonyl}ethyl)-3-(trifluoromethyl)aniline

IUPAC name

N-(2-{[235-trifluoro-6-(pyrrolidin-1-yl)pyridin-4-yl]sulfonyl}ethyl)-3-(trifluoromethyl)aniline

SMILES

O=S(CCNc1cc(C(F)(F)F)ccc1)(c(c(F)c(N1CCCC1)nc1F)c1F)=O

InChI

InChI=1S/C18H17F6N3O2S/c19-13-15(14(20)17(26-16(13)21)27-7-1-2-8-27)30(28,29)9-6-25-12-5-3-4-11(10-12)18(22,23)24/h3-5,10,25H,1-2,6-9H2

InChI Key

JTMIIULZUJGKLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08053768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.535

Distribution Coefficient, logD

4.535

Water Solubility, LogSw

-4.30

Polar Surface Area

54.370

Acid Dissociation Constant (pKa)

18.88

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

8610-0529 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8610-0529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8610-0529?
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What is the minimum amount of 8610-0529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8610-0529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8610-0529
  • 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 8610-0529 available by request