UCB-35440

CAT: 0931-T29039-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T29039-02Size:50 mg

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

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CAS Number

299460-62-1

Target

Lipoxygenase, Histamine Receptor, Others

Related Pathways

Neuroscience, GPCR/G Protein, Metabolism, Immunology/Inflammation, Others

Bioactivity

UCB-35440, a 5-lipoxygenase inhibitor and a histamine H1 receptor antagonist, is used potentially for the treatment of dermatitis.

Smiles

[C@H](N1CCN(CCOC2=C(C(N)=O)C=C(C#CCCN(C(N)=O)O)C=C2)CC1)(C3=CC=C(Cl)C=C3)C4=CC=CC=C4

Molecular Formula

C31H34ClN5O4

Molecular Weight

576.09

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Ucb-35440

CAS Number	299460-62-1
PubChem CID	9894415
IUPAC Name	5-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]-2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]benzamide
Molecular Formula	C31H34ClN5O4
Molecular Weight	576.1
XLogP	3.5
Topological Polar Surface Area	125
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Heavy Atom Count	41
Formal Charge	0
Complexity	903

SMILES

C1CN(CCN1CCOC2=C(C=C(C=C2)C#CCCN(C(=O)N)O)C(=O)N)[C@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C31H34ClN5O4/c32-26-12-10-25(11-13-26)29(24-7-2-1-3-8-24)36-18-16-35(17-19-36)20-21-41-28-14-9-23(22-27(28)30(33)38)6-4-5-15-37(40)31(34)39/h1-3,7-14,22,29,40H,5,15-21H2,(H2,33,38)(H2,34,39)/t29-/m1/s1

InChIKey

KHVLZYHEWIBDOU-GDLZYMKVSA-N

Chemical Structure

2D Structure

CAS: 299460-62-1

CID: 9894415

Formula: C31H34ClN5O4

MW: 576.1

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	576.1
XLogP3	3.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Exact Mass	575.2299323
Monoisotopic Mass	575.2299323
Topological Polar Surface Area	125 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	903
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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