CD08108

CAT: 0931-T70720-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T70720-03Size:100 mg

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

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CAS Number

1417342-67-6

Target

Others

Related Pathways

Others

Bioactivity

CD08108 is a MC1R agonist.

Smiles

O(CC1CC1)C2(CN(C([C@@H](CC3=CC=C(OC)C=C3)NC(CCC=4NC=NC4C)=O)=O)C2)C5=C(C)C=CC=C5

Molecular Formula

C31H38N4O4

Molecular Weight

530.66

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

N-[(2R)-1-[3-(cyclopropylmethoxy)-3-(2-methylphenyl)azetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(5-methyl-1H-imidazol-4-yl)propanamide

CAS Number	1417342-67-6
PubChem CID	71152492
IUPAC Name	N-[(2R)-1-[3-(cyclopropylmethoxy)-3-(2-methylphenyl)azetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(5-methyl-1H-imidazol-4-yl)propanamide
Molecular Formula	C31H38N4O4
Molecular Weight	530.7
XLogP	3.6
Topological Polar Surface Area	96.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	12
Heavy Atom Count	39
Formal Charge	0
Complexity	821

SMILES

CC1=CC=CC=C1C2(CN(C2)C(=O)[C@@H](CC3=CC=C(C=C3)OC)NC(=O)CCC4=C(NC=N4)C)OCC5CC5

InChI

InChI=1S/C31H38N4O4/c1-21-6-4-5-7-26(21)31(39-17-24-8-9-24)18-35(19-31)30(37)28(16-23-10-12-25(38-3)13-11-23)34-29(36)15-14-27-22(2)32-20-33-27/h4-7,10-13,20,24,28H,8-9,14-19H2,1-3H3,(H,32,33)(H,34,36)/t28-/m1/s1

InChIKey

NIJVIWSFUPHAMB-MUUNZHRXSA-N

Chemical Structure

2D Structure

CAS: 1417342-67-6

CID: 71152492

Formula: C31H38N4O4

MW: 530.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	530.7
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	12
Exact Mass	530.28930571
Monoisotopic Mass	530.28930571
Topological Polar Surface Area	96.6 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	821
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

Alternative Products

Catalog	Name
GTR19209134-01	CD08108

CD08108

Chemical Information

Alternative Products

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