C200-1311 Screening compound: 3-(4-chloro-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)-N~1~-cyclohexylbenzamide

C200-1311 Screening compound: 3-(4-chloro-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)-N~1~-cyclohexylbenzamide
C200-1311 Screening compound: 3-(4-chloro-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)-N~1~-cyclohexylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1311
3-(4-chloro-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)-N~1~-cyclohexylbenzamide

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

C200-1311

Molecular Formula

C24H26ClN3O3 (C24 H26 ClN3 O3)

Compound Name

3-(4-chloro-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)-N~1~-cyclohexylbenzamide

IUPAC name

3-{4-chloro-9-methyl-11-oxo-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-10-yl}-N-cyclohexylbenzamide

SMILES

CC(CC1N2)(N(c3cc(C(NC4CCCCC4)=O)ccc3)C2=O)Oc(cc2)c1cc2Cl

InChI

InChI=1S/C24H26ClN3O3/c1-24-14-20(19-13-16(25)10-11-21(19)31-24)27-23(30)28(24)18-9-5-6-15(12-18)22(29)26-17-7-3-2-4-8-17/h5-6,9-13,17,20H,2-4,7-8,14H2,1H3,(H,26,29)(H,27,30)

InChI Key

XHKGKAUFWUHIRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.981

Distribution Coefficient, logD

4.981

Water Solubility, LogSw

-5.17

Polar Surface Area

57.215

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.70

C200-1311 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)

MCE-18 Trends in Medicinal Chemistry (51288 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 C200-1311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1311?
Check Price and Availability of C200-1311, 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 C200-1311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1311
  • 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 C200-1311 available by request