NF-56-EJ40

CAT: 0931-T12216-06Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T12216-06Size:100 mg

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

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CAS Number

2380230-73-7

Target

Succinate Receptor 1 (SUCNR1)

Related Pathways

GPCR/G Protein

Purity

0.9965

Bioactivity

NF-56-EJ40 is an effective and highly selective antagonist of human SUCNR1 with an IC50 of 25 nM and a Ki of 33 nM.

Smiles

CN1CCN(Cc2ccc(cc2)-c2cccc(c2)C(=O)Nc2ccccc2CC(O)=O)CC1

Molecular Formula

C27H29N3O3

Molecular Weight

443.54

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

NF-56-EJ40

CAS Number	2380230-73-7
PubChem CID	138811017
IUPAC Name	2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzoyl]amino]phenyl]acetic acid
Molecular Formula	C27H29N3O3
Molecular Weight	443.5
XLogP	1.2
Topological Polar Surface Area	72.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	33
Formal Charge	0
Complexity	641

SMILES

CN1CCN(CC1)CC2=CC=C(C=C2)C3=CC(=CC=C3)C(=O)NC4=CC=CC=C4CC(=O)O

InChI

InChI=1S/C27H29N3O3/c1-29-13-15-30(16-14-29)19-20-9-11-21(12-10-20)22-6-4-7-24(17-22)27(33)28-25-8-3-2-5-23(25)18-26(31)32/h2-12,17H,13-16,18-19H2,1H3,(H,28,33)(H,31,32)

InChIKey

UTWXDNZWMQAUKL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2380230-73-7

CID: 138811017

Formula: C27H29N3O3

MW: 443.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	443.5
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	443.22089180
Monoisotopic Mass	443.22089180
Topological Polar Surface Area	72.9 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	641
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Chemical Information

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