C773-0261 Screening compound: 2,2-dimethyl-5-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

C773-0261 Screening compound: 2,2-dimethyl-5-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
C773-0261 Screening compound: 2,2-dimethyl-5-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C773-0261
2,2-dimethyl-5-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

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

C773-0261

Molecular Formula

C24H26F3N3O2S (C24 H26 F3 N3 O2 S)

Compound Name

2,2-dimethyl-5-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

IUPAC name

22-dimethyl-5-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2345-tetrahydro-15-benzothiazepin-4-one

SMILES

CC(C)(C1)Sc(cccc2)c2N(CC(N(CC2)CCN2c2cc(C(F)(F)F)ccc2)=O)C1=O

InChI

InChI=1S/C24H26F3N3O2S/c1-23(2)15-21(31)30(19-8-3-4-9-20(19)33-23)16-22(32)29-12-10-28(11-13-29)18-7-5-6-17(14-18)24(25,26)27/h3-9,14H,10-13,15-16H2,1-2H3

InChI Key

RYMNOGLFGJWNIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.656

Distribution Coefficient, logD

4.656

Water Solubility, LogSw

-4.48

Polar Surface Area

35.603

Acid Dissociation Constant (pKa)

23.77

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C773-0261 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C773-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C773-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C773-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C773-0261
  • 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 C773-0261 available by request