C326-0263 Screening compound: 6-methoxy-9-methyl-10-(3-{[4-(4-nitrophenyl)piperazino]carbonyl}phenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C326-0263 Screening compound: 6-methoxy-9-methyl-10-(3-{[4-(4-nitrophenyl)piperazino]carbonyl}phenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C326-0263 Screening compound: 6-methoxy-9-methyl-10-(3-{[4-(4-nitrophenyl)piperazino]carbonyl}phenyl)-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 C326-0263
6-methoxy-9-methyl-10-(3-{[4-(4-nitrophenyl)piperazino]carbonyl}phenyl)-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

C326-0263

Molecular Formula

C29H29N5O6 (C29 H29 N5 O6)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1N2)(N(c3cccc(C(N(CC4)CCN4c(cc4)ccc4[N+]([O-])=O)=O)c3)C2=O)Oc2c1cccc2OC

InChI

InChI=1S/C29H29N5O6/c1-29-18-24(23-7-4-8-25(39-2)26(23)40-29)30-28(36)33(29)22-6-3-5-19(17-22)27(35)32-15-13-31(14-16-32)20-9-11-21(12-10-20)34(37)38/h3-12,17,24H,13-16,18H2,1-2H3,(H,30,36)

InChI Key

VSQKKCKILJFZIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.938

Distribution Coefficient, logD

3.938

Water Solubility, LogSw

-4.15

Polar Surface Area

93.682

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.00

C326-0263 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 C326-0263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C326-0263?
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What is the minimum amount of C326-0263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C326-0263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C326-0263
  • 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 C326-0263 available by request