C200-6899 Screening compound: tert-butyl 2-({[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}sulfanyl)-3-(3-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate

C200-6899 Screening compound: tert-butyl 2-({[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}sulfanyl)-3-(3-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
C200-6899 Screening compound: tert-butyl 2-({[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}sulfanyl)-3-(3-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-6899
tert-butyl 2-({[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}sulfanyl)-3-(3-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-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

C200-6899

Molecular Formula

C29H34N4O6S (C29 H34 N4 O6 S)

Compound Name

tert-butyl 2-({[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}sulfanyl)-3-(3-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate

IUPAC name

tert-butyl 2-({[(23-dihydro-14-benzodioxin-6-yl)carbamoyl]methyl}sulfanyl)-3-(3-methoxyphenyl)-148-triazaspiro[4.5]deca-13-diene-8-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1(N=C1c2cc(OC)ccc2)N=C1SCC(Nc(cc1)cc2c1OCCO2)=O)=O

InChI

InChI=1S/C29H34N4O6S/c1-28(2,3)39-27(35)33-12-10-29(11-13-33)31-25(19-6-5-7-21(16-19)36-4)26(32-29)40-18-24(34)30-20-8-9-22-23(17-20)38-15-14-37-22/h5-9,16-17H,10-15,18H2,1-4H3,(H,30,34)

InChI Key

ZCQHEKXARHDDIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.68

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.861

Distribution Coefficient, logD

3.861

Water Solubility, LogSw

-4.07

Polar Surface Area

85.487

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

C200-6899 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 C200-6899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-6899?
Check Price and Availability of C200-6899, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C200-6899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-6899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-6899
  • 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 C200-6899 available by request