D750-0302 Screening compound: (1S,9R)-11-{2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)tetrahydro-2H-pyran-4-yl]acetyl}-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one

D750-0302 Screening compound: (1S,9R)-11-{2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)tetrahydro-2H-pyran-4-yl]acetyl}-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one
D750-0302 Screening compound: (1S,9R)-11-{2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)tetrahydro-2H-pyran-4-yl]acetyl}-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D750-0302
(1S,9R)-11-{2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)tetrahydro-2H-pyran-4-yl]acetyl}-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-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

D750-0302

Molecular Formula

C26H29N3O4 (C26 H29 N3 O4)

Compound Name

(1S,9R)-11-{2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)tetrahydro-2H-pyran-4-yl]acetyl}-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one

IUPAC name

(1S9R)-11-{2-[4-(1-oxo-23-dihydro-1H-isoindol-2-yl)oxan-4-yl]acetyl}-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-6-one

SMILES

O=C(CC1(CCOCC1)N(Cc1c2cccc1)C2=O)N(C[C@@H](C1)CN23)C[C@H]1C3=CC=CC2=O

InChI

InChI=1S/C26H29N3O4/c30-23-7-3-6-22-20-12-18(15-28(22)23)14-27(16-20)24(31)13-26(8-10-33-11-9-26)29-17-19-4-1-2-5-21(19)25(29)32/h1-7,18,20H,8-17H2/t18-,20-/m0/s1

InChI Key

UHYPSGYAFSHFLD-ICSRJNTNSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.422

Distribution Coefficient, logD

2.422

Water Solubility, LogSw

-2.83

Polar Surface Area

55.948

Acid Dissociation Constant (pKa)

22.86

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

D750-0302 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D750-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D750-0302?
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What is the minimum amount of D750-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D750-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D750-0302
  • 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 D750-0302 available by request