DR-4004

CAT: 0931-T27207-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T27207-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

201608-41-5

Target

5-HT Receptor, Others

Related Pathways

Others, GPCR/G Protein, Neuroscience

Bioactivity

DR-4004 is a selective serotonin 5-HT7 receptor antagonist.

Smiles

C(CCCN1CCC(=CC1)C2=CC=CC=C2)C34C=5C(NC3=O)=CC=CC5CCC4

Molecular Formula

C26H30N2O

Molecular Weight

386.53

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

DR-4004

a tetrahydrobenzindole

CAS Number	201608-41-5
PubChem CID	9843179
IUPAC Name	2a-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
Molecular Formula	C26H30N2O
Molecular Weight	386.5
XLogP	4.5
Topological Polar Surface Area	32.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	29
Formal Charge	0
Complexity	622

SMILES

C1CC2=C3C(=CC=C2)NC(=O)C3(C1)CCCCN4CCC(=CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H30N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12-13H,4-5,7,11,14-19H2,(H,27,29)

InChIKey

JBQOYPLKTTXLSQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 201608-41-5

CID: 9843179

Formula: C26H30N2O

MW: 386.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	386.5
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	386.235813585
Monoisotopic Mass	386.235813585
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	622
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MBS5680503-01	Anti-h PCT 4004 SPTN-5
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SR302705	LMO1 Human siRNA Oligo Duplex (Locus ID 4004)
TR311708	LMO1 Human shRNA Plasmid Kit (Locus ID 4004)
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DR-4004

Chemical Information

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