C326-0435 Screening compound: 4-bromo-9-methyl-10-(3-{[4-(2-pyrimidinyl)piperazino]carbonyl}phenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C326-0435 Screening compound: 4-bromo-9-methyl-10-(3-{[4-(2-pyrimidinyl)piperazino]carbonyl}phenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C326-0435 Screening compound: 4-bromo-9-methyl-10-(3-{[4-(2-pyrimidinyl)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 C326-0435
4-bromo-9-methyl-10-(3-{[4-(2-pyrimidinyl)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

C326-0435

Molecular Formula

C26H25BrN6O3 (C26 H25 BrN6 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1N2)(N(c3cc(C(N(CC4)CCN4c4ncccn4)=O)ccc3)C2=O)Oc(cc2)c1cc2Br

InChI

InChI=1S/C26H25BrN6O3/c1-26-16-21(20-15-18(27)6-7-22(20)36-26)30-25(35)33(26)19-5-2-4-17(14-19)23(34)31-10-12-32(13-11-31)24-28-8-3-9-29-24/h2-9,14-15,21H,10-13,16H2,1H3,(H,30,35)

InChI Key

UPFADJQMZIDYET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.907

Distribution Coefficient, logD

3.907

Water Solubility, LogSw

-4.08

Polar Surface Area

71.348

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.80

C326-0435 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Akt-Targeted Library (14764 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C326-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C326-0435?
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What is the minimum amount of C326-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C326-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C326-0435
  • 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 C326-0435 available by request