C200-6723 Screening compound: tert-butyl 2-{[(3-methoxyphenyl)methyl]sulfanyl}-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate

C200-6723 Screening compound: tert-butyl 2-{[(3-methoxyphenyl)methyl]sulfanyl}-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
C200-6723 Screening compound: tert-butyl 2-{[(3-methoxyphenyl)methyl]sulfanyl}-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-6723
tert-butyl 2-{[(3-methoxyphenyl)methyl]sulfanyl}-3-(thiophen-2-yl)-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

C200-6723

Molecular Formula

C24H29N3O3S2 (C24 H29 N3 O3 S2)

Compound Name

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

IUPAC name

tert-butyl 2-{[(3-methoxyphenyl)methyl]sulfanyl}-3-(thiophen-2-yl)-148-triazaspiro[4.5]deca-13-diene-8-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1(N=C1c2cccs2)N=C1SCc1cc(OC)ccc1)=O

InChI

InChI=1S/C24H29N3O3S2/c1-23(2,3)30-22(28)27-12-10-24(11-13-27)25-20(19-9-6-14-31-19)21(26-24)32-16-17-7-5-8-18(15-17)29-4/h5-9,14-15H,10-13,16H2,1-4H3

InChI Key

DALDLCABHPAADI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.264

Distribution Coefficient, logD

5.264

Water Solubility, LogSw

-5.14

Polar Surface Area

47.533

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

C200-6723 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C200-6723 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-6723?
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What is the minimum amount of C200-6723 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-6723
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-6723
  • 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 C200-6723 available by request