8003-0135 Screening compound: 2-{[3-(4-tert-butylphenoxy)-2-hydroxypropyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

8003-0135 Screening compound: 2-{[3-(4-tert-butylphenoxy)-2-hydroxypropyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
8003-0135 Screening compound: 2-{[3-(4-tert-butylphenoxy)-2-hydroxypropyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0135
2-{[3-(4-tert-butylphenoxy)-2-hydroxypropyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

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

8003-0135

Molecular Formula

C24H23F3N2O2S2 (C24 H23 F3 N2 O2 S2)

Compound Name

2-{[3-(4-tert-butylphenoxy)-2-hydroxypropyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

IUPAC name

2-{[3-(4-tert-butylphenoxy)-2-hydroxypropyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

SMILES

CC(C)(C)c(cc1)ccc1OCC(CSc(nc(cc1C(F)(F)F)-c2cccs2)c1C#N)O

InChI

InChI=1S/C24H23F3N2O2S2/c1-23(2,3)15-6-8-17(9-7-15)31-13-16(30)14-33-22-18(12-28)19(24(25,26)27)11-20(29-22)21-5-4-10-32-21/h4-11,16,30H,13-14H2,1-3H3/t16-/m0/s1

InChI Key

LDEVCXREMCMXIA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00742659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.395

Distribution Coefficient, logD

7.395

Water Solubility, LogSw

-5.90

Polar Surface Area

50.636

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

-2.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 8003-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0135?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0135
  • 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 8003-0135 available by request