3406-0635 Screening compound: 4-[1-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]benzoic acid

3406-0635 Screening compound: 4-[1-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]benzoic acid
3406-0635 Screening compound: 4-[1-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3406-0635
4-[1-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]benzoic acid

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

3406-0635

Molecular Formula

C26H19NO4 (C26 H19 NO4)

Compound Name

4-[1-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]benzoic acid

IUPAC name

4-{1-methyl-1618-dioxo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2(7)359(14)1012-hexaen-17-yl}benzoic acid

SMILES

CC(C(C(C12)C(N3c(cc4)ccc4C(O)=O)=O)C3=O)(c3c2cccc3)c2c1cccc2

InChI

InChI=1S/C26H19NO4/c1-26-18-8-4-2-6-16(18)20(17-7-3-5-9-19(17)26)21-22(26)24(29)27(23(21)28)15-12-10-14(11-13-15)25(30)31/h2-13,20-22H,1H3,(H,30,31)

InChI Key

KKZUJSRWGQBCMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00577857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.555

Distribution Coefficient, logD

1.160

Water Solubility, LogSw

-3.58

Polar Surface Area

56.858

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-9.01

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.20

3406-0635 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3406-0635 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3406-0635?
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What is the minimum amount of 3406-0635 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3406-0635
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3406-0635
  • 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 3406-0635 available by request