Y010-1546 Screening compound: 2,6-di(tert-butyl)-4-{[2,3,5-trifluoro-6-(propylamino)-4-pyridyl]sulfanyl}phenol

Y010-1546 Screening compound: 2,6-di(tert-butyl)-4-{[2,3,5-trifluoro-6-(propylamino)-4-pyridyl]sulfanyl}phenol
Y010-1546 Screening compound: 2,6-di(tert-butyl)-4-{[2,3,5-trifluoro-6-(propylamino)-4-pyridyl]sulfanyl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1546
2,6-di(tert-butyl)-4-{[2,3,5-trifluoro-6-(propylamino)-4-pyridyl]sulfanyl}phenol

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

Y010-1546

Molecular Formula

C22H29F3N2OS (C22 H29 F3 N2 OS)

Compound Name

2,6-di(tert-butyl)-4-{[2,3,5-trifluoro-6-(propylamino)-4-pyridyl]sulfanyl}phenol

IUPAC name

26-di-tert-butyl-4-{[235-trifluoro-6-(propylamino)pyridin-4-yl]sulfanyl}phenol

SMILES

CCCNc(nc(c(F)c1Sc(cc2C(C)(C)C)cc(C(C)(C)C)c2O)F)c1F

InChI

InChI=1S/C22H29F3N2OS/c1-8-9-26-20-16(24)18(15(23)19(25)27-20)29-12-10-13(21(2,3)4)17(28)14(11-12)22(5,6)7/h10-11,28H,8-9H2,1-7H3,(H,26,27)

InChI Key

RBCSQEVRBOFGHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01239212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.297

Distribution Coefficient, logD

7.296

Water Solubility, LogSw

-5.93

Polar Surface Area

37.701

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Y010-1546 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y010-1546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1546?
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What is the minimum amount of Y010-1546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1546
  • 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 Y010-1546 available by request