5664-0293 Screening compound: 3-{2-[(2-chlorophenyl)amino]-1,3-thiazol-4-yl}-3-methyl-8-[(pentyloxy)methyl]-2,7-dioxaspiro[4.4]nonane-1,6-dione

5664-0293 Screening compound: 3-{2-[(2-chlorophenyl)amino]-1,3-thiazol-4-yl}-3-methyl-8-[(pentyloxy)methyl]-2,7-dioxaspiro[4.4]nonane-1,6-dione
5664-0293 Screening compound: 3-{2-[(2-chlorophenyl)amino]-1,3-thiazol-4-yl}-3-methyl-8-[(pentyloxy)methyl]-2,7-dioxaspiro[4.4]nonane-1,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5664-0293
3-{2-[(2-chlorophenyl)amino]-1,3-thiazol-4-yl}-3-methyl-8-[(pentyloxy)methyl]-2,7-dioxaspiro[4.4]nonane-1,6-dione

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

5664-0293

Molecular Formula

C23H27ClN2O5S (C23 H27 ClN2 O5 S)

Compound Name

3-{2-[(2-chlorophenyl)amino]-1,3-thiazol-4-yl}-3-methyl-8-[(pentyloxy)methyl]-2,7-dioxaspiro[4.4]nonane-1,6-dione

IUPAC name

3-{2-[(2-chlorophenyl)amino]-13-thiazol-4-yl}-3-methyl-8-[(pentyloxy)methyl]-27-dioxaspiro[4.4]nonane-16-dione

SMILES

CCCCCOCC(CC1(CC(C)(c2csc(Nc(cccc3)c3Cl)n2)O2)C2=O)OC1=O

InChI

InChI=1S/C23H27ClN2O5S/c1-3-4-7-10-29-12-15-11-23(19(27)30-15)14-22(2,31-20(23)28)18-13-32-21(26-18)25-17-9-6-5-8-16(17)24/h5-6,8-9,13,15H,3-4,7,10-12,14H2,1-2H3,(H,25,26)

InChI Key

JXCHTTSTLBHUOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479

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

5.422

Distribution Coefficient, logD

5.422

Water Solubility, LogSw

-5.77

Polar Surface Area

68.772

Acid Dissociation Constant (pKa)

15.97

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

52.20

5664-0293 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5664-0293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5664-0293?
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What is the minimum amount of 5664-0293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5664-0293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5664-0293
  • 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 5664-0293 available by request