C200-1289 Screening compound: 4-chloro-10-(3-{[4-(3-chlorophenyl)piperazino]carbonyl}phenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C200-1289 Screening compound: 4-chloro-10-(3-{[4-(3-chlorophenyl)piperazino]carbonyl}phenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C200-1289 Screening compound: 4-chloro-10-(3-{[4-(3-chlorophenyl)piperazino]carbonyl}phenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1289
4-chloro-10-(3-{[4-(3-chlorophenyl)piperazino]carbonyl}phenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-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

C200-1289

Molecular Formula

C28H26Cl2N4O3 (C28 H26 Cl2 N4 O3)

Compound Name

4-chloro-10-(3-{[4-(3-chlorophenyl)piperazino]carbonyl}phenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

IUPAC name

4-chloro-10-{3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}-9-methyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-11-one

SMILES

CC(CC1N2)(N(c3cc(C(N(CC4)CCN4c4cc(Cl)ccc4)=O)ccc3)C2=O)Oc(cc2)c1cc2Cl

InChI

InChI=1S/C28H26Cl2N4O3/c1-28-17-24(23-16-20(30)8-9-25(23)37-28)31-27(36)34(28)22-7-2-4-18(14-22)26(35)33-12-10-32(11-13-33)21-6-3-5-19(29)15-21/h2-9,14-16,24H,10-13,17H2,1H3,(H,31,36)

InChI Key

HXXXNJHXXBKKPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.199

Distribution Coefficient, logD

5.199

Water Solubility, LogSw

-5.64

Polar Surface Area

52.985

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

C200-1289 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C200-1289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1289?
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What is the minimum amount of C200-1289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1289
  • 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 C200-1289 available by request