S957-0034C Screening compound: 4-{4-(HYDROXYMETHYL)-2-[(3-METHYL-2-THIENYL)CARBONYL]-2,8-DIAZASPIRO[4.5]DEC-8-YL}-2-(TRIFLUOROMETHYL)BENZONITRILE

S957-0034C Screening compound: 4-{4-(HYDROXYMETHYL)-2-[(3-METHYL-2-THIENYL)CARBONYL]-2,8-DIAZASPIRO[4.5]DEC-8-YL}-2-(TRIFLUOROMETHYL)BENZONITRILE
S957-0034C Screening compound: 4-{4-(HYDROXYMETHYL)-2-[(3-METHYL-2-THIENYL)CARBONYL]-2,8-DIAZASPIRO[4.5]DEC-8-YL}-2-(TRIFLUOROMETHYL)BENZONITRILE alternative view

Chemical Structure Depiction of ChemDiv screening compound S957-0034C
4-{4-(HYDROXYMETHYL)-2-[(3-METHYL-2-THIENYL)CARBONYL]-2,8-DIAZASPIRO[4.5]DEC-8-YL}-2-(TRIFLUOROMETHYL)BENZONITRILE

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

S957-0034C

Molecular Formula

C23H24F3N3O2S (C23 H24 F3 N3 O2 S)

Compound Name

4-{4-(HYDROXYMETHYL)-2-[(3-METHYL-2-THIENYL)CARBONYL]-2,8-DIAZASPIRO[4.5]DEC-8-YL}-2-(TRIFLUOROMETHYL)BENZONITRILE

IUPAC name

n/a

SMILES

Cc1c(C(N2CC(CC3)(CCN3c(cc3)cc(C(F)(F)F)c3C#N)C(CO)C2)=O)scc1

InChI

InChI=1S/C23H24F3N3O2S/c1-15-4-9-32-20(15)21(31)29-12-17(13-30)22(14-29)5-7-28(8-6-22)18-3-2-16(11-27)19(10-18)23(24,25)26/h2-4,9-10,17,30H,5-8,12-14H2,1H3/t17-/m0/s1

InChI Key

QWWSOHBWYUOPIM-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.501

Distribution Coefficient, logD

3.501

Water Solubility, LogSw

-3.56

Polar Surface Area

55.490

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

2.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

References: we are preparing a list of scientific research reports with S957-0034C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S957-0034C?
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What is the minimum amount of S957-0034C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S957-0034C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S957-0034C
  • 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 S957-0034C available by request