C200-6623 Screening compound: tert-butyl 2-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate

C200-6623 Screening compound: tert-butyl 2-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
C200-6623 Screening compound: tert-butyl 2-({[(4-fluorophenyl)carbamoyl]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 C200-6623
tert-butyl 2-({[(4-fluorophenyl)carbamoyl]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

C200-6623

Molecular Formula

C24H27FN4O3S2 (C24 H27 FN4 O3 S2)

Compound Name

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

IUPAC name

tert-butyl 2-({[(4-fluorophenyl)carbamoyl]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=C1SCC(Nc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C24H27FN4O3S2/c1-23(2,3)32-22(31)29-12-10-24(11-13-29)27-20(18-5-4-14-33-18)21(28-24)34-15-19(30)26-17-8-6-16(25)7-9-17/h4-9,14H,10-13,15H2,1-3H3,(H,26,30)

InChI Key

KQNPXZYHMBABCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.635

Distribution Coefficient, logD

4.635

Water Solubility, LogSw

-4.29

Polar Surface Area

63.138

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C200-6623 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 C200-6623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-6623?
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What is the minimum amount of C200-6623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-6623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-6623
  • 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 C200-6623 available by request