C432-0157 Screening compound: 10-(4-{[4-(4-chlorophenyl)piperazino]carbonyl}phenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C432-0157 Screening compound: 10-(4-{[4-(4-chlorophenyl)piperazino]carbonyl}phenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C432-0157 Screening compound: 10-(4-{[4-(4-chlorophenyl)piperazino]carbonyl}phenyl)-6-methoxy-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 C432-0157
10-(4-{[4-(4-chlorophenyl)piperazino]carbonyl}phenyl)-6-methoxy-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

C432-0157

Molecular Formula

C29H29ClN4O4 (C29 H29 ClN4 O4)

Compound Name

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

IUPAC name

10-{4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl}-6-methoxy-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)CCN3c(cc3)ccc3Cl)=O)C2=O)Oc2c1cccc2OC

InChI

InChI=1S/C29H29ClN4O4/c1-29-18-24(23-4-3-5-25(37-2)26(23)38-29)31-28(36)34(29)22-10-6-19(7-11-22)27(35)33-16-14-32(15-17-33)21-12-8-20(30)9-13-21/h3-13,24H,14-18H2,1-2H3,(H,31,36)

InChI Key

VFEULTGTFSZQDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.03

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.577

Distribution Coefficient, logD

4.577

Water Solubility, LogSw

-4.94

Polar Surface Area

60.300

Acid Dissociation Constant (pKa)

13.74

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.00

C432-0157 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 C432-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C432-0157?
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What is the minimum amount of C432-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C432-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C432-0157
  • 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 C432-0157 available by request