C250-0319 Screening compound: 2-{[8-tert-butyl-3-(4-methylphenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-phenylacetamide

C250-0319 Screening compound: 2-{[8-tert-butyl-3-(4-methylphenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-phenylacetamide
C250-0319 Screening compound: 2-{[8-tert-butyl-3-(4-methylphenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C250-0319
2-{[8-tert-butyl-3-(4-methylphenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-phenylacetamide

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

C250-0319

Molecular Formula

C27H33N3OS (C27 H33 N3 OS)

Compound Name

2-{[8-tert-butyl-3-(4-methylphenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-phenylacetamide

IUPAC name

2-{[8-tert-butyl-3-(4-methylphenyl)-14-diazaspiro[4.5]deca-13-dien-2-yl]sulfanyl}-N-phenylacetamide

SMILES

CC(C)(C)C(CC1)CCC1(N=C1c2ccc(C)cc2)N=C1SCC(Nc1ccccc1)=O

InChI

InChI=1S/C27H33N3OS/c1-19-10-12-20(13-11-19)24-25(32-18-23(31)28-22-8-6-5-7-9-22)30-27(29-24)16-14-21(15-17-27)26(2,3)4/h5-13,21H,14-18H2,1-4H3,(H,28,31)

InChI Key

OPQUNZJHIDBSCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.228

Distribution Coefficient, logD

6.228

Water Solubility, LogSw

-5.53

Polar Surface Area

40.230

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with C250-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C250-0319?
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What is the minimum amount of C250-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C250-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C250-0319
  • 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 C250-0319 available by request