C432-0333 Screening compound: 4-chloro-10-(4-{[4-(2,3-dimethylphenyl)piperazino]carbonyl}phenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C432-0333 Screening compound: 4-chloro-10-(4-{[4-(2,3-dimethylphenyl)piperazino]carbonyl}phenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C432-0333 Screening compound: 4-chloro-10-(4-{[4-(2,3-dimethylphenyl)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 C432-0333
4-chloro-10-(4-{[4-(2,3-dimethylphenyl)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

C432-0333

Molecular Formula

C30H31ClN4O3 (C30 H31 ClN4 O3)

Compound Name

4-chloro-10-(4-{[4-(2,3-dimethylphenyl)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-{4-[4-(23-dimethylphenyl)piperazine-1-carbonyl]phenyl}-9-methyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-11-one

SMILES

CC(CC1N2)(N(c(cc3)ccc3C(N(CC3)CCN3c3c(C)c(C)ccc3)=O)C2=O)Oc(cc2)c1cc2Cl

InChI

InChI=1S/C30H31ClN4O3/c1-19-5-4-6-26(20(19)2)33-13-15-34(16-14-33)28(36)21-7-10-23(11-8-21)35-29(37)32-25-18-30(35,3)38-27-12-9-22(31)17-24(25)27/h4-12,17,25H,13-16,18H2,1-3H3,(H,32,37)

InChI Key

YDECRLYAOSFOLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.05

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

5.709

Distribution Coefficient, logD

5.709

Water Solubility, LogSw

-5.99

Polar Surface Area

52.685

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

C432-0333 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 C432-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C432-0333?
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What is the minimum amount of C432-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C432-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C432-0333
  • 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 C432-0333 available by request