C269-0430F Screening compound: (1R,9R)-4-(tert-butyl)-10-(4-ethoxyphenyl)-6-hydroxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C269-0430F Screening compound: (1R,9R)-4-(tert-butyl)-10-(4-ethoxyphenyl)-6-hydroxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C269-0430F Screening compound: (1R,9R)-4-(tert-butyl)-10-(4-ethoxyphenyl)-6-hydroxy-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 C269-0430F
(1R,9R)-4-(tert-butyl)-10-(4-ethoxyphenyl)-6-hydroxy-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

C269-0430F

Molecular Formula

C23H28N2O4 (C23 H28 N2 O4)

Compound Name

(1R,9R)-4-(tert-butyl)-10-(4-ethoxyphenyl)-6-hydroxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

IUPAC name

n/a

SMILES

CCOc(cc1)ccc1N([C@](C)(C[C@H]1N2)Oc3c1cc(C(C)(C)C)cc3O)C2=O

InChI

InChI=1S/C23H28N2O4/c1-6-28-16-9-7-15(8-10-16)25-21(27)24-18-13-23(25,5)29-20-17(18)11-14(12-19(20)26)22(2,3)4/h7-12,18,26H,6,13H2,1-5H3,(H,24,27)/t18-,23-/m0/s1

InChI Key

OSQQHNBNKSDXHR-MBSDFSHPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.287

Distribution Coefficient, logD

5.286

Water Solubility, LogSw

-5.11

Polar Surface Area

56.433

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with C269-0430F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C269-0430F?
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What is the minimum amount of C269-0430F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C269-0430F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C269-0430F
  • 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 C269-0430F available by request