C200-6861 Screening compound: tert-butyl 4-{[(3,4-dimethoxyphenyl)carbamoyl]methyl}-3-oxo-2-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate

C200-6861 Screening compound: tert-butyl 4-{[(3,4-dimethoxyphenyl)carbamoyl]methyl}-3-oxo-2-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
C200-6861 Screening compound: tert-butyl 4-{[(3,4-dimethoxyphenyl)carbamoyl]methyl}-3-oxo-2-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-6861
tert-butyl 4-{[(3,4-dimethoxyphenyl)carbamoyl]methyl}-3-oxo-2-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate

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

C200-6861

Molecular Formula

C26H32N4O6S (C26 H32 N4 O6 S)

Compound Name

tert-butyl 4-{[(3,4-dimethoxyphenyl)carbamoyl]methyl}-3-oxo-2-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate

IUPAC name

tert-butyl 4-{[(34-dimethoxyphenyl)carbamoyl]methyl}-3-oxo-2-(thiophen-2-yl)-148-triazaspiro[4.5]dec-1-ene-8-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1(N1CC(Nc(cc2)cc(OC)c2OC)=O)N=C(c2cccs2)C1=O)=O

InChI

InChI=1S/C26H32N4O6S/c1-25(2,3)36-24(33)29-12-10-26(11-13-29)28-22(20-7-6-14-37-20)23(32)30(26)16-21(31)27-17-8-9-18(34-4)19(15-17)35-5/h6-9,14-15H,10-13,16H2,1-5H3,(H,27,31)

InChI Key

WJENITDOQKYZJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.595

Distribution Coefficient, logD

3.595

Water Solubility, LogSw

-3.88

Polar Surface Area

85.766

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

C200-6861 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C200-6861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-6861?
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What is the minimum amount of C200-6861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-6861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-6861
  • 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 C200-6861 available by request