C432-0300 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~-(2-pyridylmethyl)benzamide

C432-0300 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~-(2-pyridylmethyl)benzamide
C432-0300 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~-(2-pyridylmethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C432-0300
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~-(2-pyridylmethyl)benzamide

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

C432-0300

Molecular Formula

C24H21ClN4O3 (C24 H21 ClN4 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~-(2-pyridylmethyl)benzamide

IUPAC name

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

SMILES

CC(CC1N2)(N(c(cc3)ccc3C(NCc3ncccc3)=O)C2=O)Oc(cc2)c1cc2Cl

InChI

InChI=1S/C24H21ClN4O3/c1-24-13-20(19-12-16(25)7-10-21(19)32-24)28-23(31)29(24)18-8-5-15(6-9-18)22(30)27-14-17-4-2-3-11-26-17/h2-12,20H,13-14H2,1H3,(H,27,30)(H,28,31)

InChI Key

PXJFWHVNGWEUQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.625

Distribution Coefficient, logD

3.625

Water Solubility, LogSw

-4.16

Polar Surface Area

67.033

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.80

C432-0300 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 C432-0300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C432-0300?
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What is the minimum amount of C432-0300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C432-0300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C432-0300
  • 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 C432-0300 available by request