C432-0302 Screening compound: 4-(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~-phenethylbenzamide

C432-0302 Screening compound: 4-(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~-phenethylbenzamide
C432-0302 Screening compound: 4-(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~-phenethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C432-0302
4-(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~-phenethylbenzamide

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

C432-0302

Molecular Formula

C26H24ClN3O3 (C26 H24 ClN3 O3)

Compound Name

4-(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~-phenethylbenzamide

IUPAC name

4-{4-chloro-9-methyl-11-oxo-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-10-yl}-N-(2-phenylethyl)benzamide

SMILES

CC(CC1N2)(N(c(cc3)ccc3C(NCCc3ccccc3)=O)C2=O)Oc(cc2)c1cc2Cl

InChI

InChI=1S/C26H24ClN3O3/c1-26-16-22(21-15-19(27)9-12-23(21)33-26)29-25(32)30(26)20-10-7-18(8-11-20)24(31)28-14-13-17-5-3-2-4-6-17/h2-12,15,22H,13-14,16H2,1H3,(H,28,31)(H,29,32)

InChI Key

BGWDHISESOHNSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.468

Distribution Coefficient, logD

4.468

Water Solubility, LogSw

-4.81

Polar Surface Area

57.332

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.10

C432-0302 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C432-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C432-0302?
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What is the minimum amount of C432-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C432-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C432-0302
  • 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 C432-0302 available by request