M4284

CAT: 0013-GTR19167406-08Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19167406-08Size:500 mg

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Description

M4284

CAS Number

1373346-85-0

Product Name Alternative

Bacterial, E.Coil, Inhibitor, mannoside, FimH, inhibit, M 4284, M4284, M-4284, UTI, UPEC

Field of Research

Infectious Disease & Virology

Purity

97.43% (May vary between batches)

Solubility

DMSO:120 mg/mL (260.6 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (10.86 mM)

Smiles

CNC (=O) c1cc (cc (c1) -c1ccc (O[C@H]2O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@@H]2O) c (C) c1) C (=O) NC

Molecular Formula

C23H28N2O8

Molecular Weight

460.48

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

5-[4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(Hydroxymethyl)-3,4,5-Tris(Oxidanyl)oxan-2-Yl]oxy-3-Methyl-Phenyl]-~{n}1,~{n}3-Dimethyl-Benzene-1,3-Dicarboxamide

CAS Number	1373346-85-0
PubChem CID	57413592
IUPAC Name	1-N,3-N-dimethyl-5-[3-methyl-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzene-1,3-dicarboxamide
Molecular Formula	C23H28N2O8
Molecular Weight	460.5
XLogP	0.3
Topological Polar Surface Area	158
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	33
Formal Charge	0
Complexity	655

SMILES

CC1=C(C=CC(=C1)C2=CC(=CC(=C2)C(=O)NC)C(=O)NC)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

InChI

InChI=1S/C23H28N2O8/c1-11-6-12(13-7-14(21(30)24-2)9-15(8-13)22(31)25-3)4-5-16(11)32-23-20(29)19(28)18(27)17(10-26)33-23/h4-9,17-20,23,26-29H,10H2,1-3H3,(H,24,30)(H,25,31)/t17-,18-,19+,20+,23+/m1/s1

InChIKey

CPNXCPWXQQMNFG-WCZGSDDISA-N

Chemical Structure

2D Structure

CAS: 1373346-85-0

CID: 57413592

Formula: C23H28N2O8

MW: 460.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	460.5
XLogP3	0.3
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	460.18456586
Monoisotopic Mass	460.18456586
Topological Polar Surface Area	158 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	655
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
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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Catalog	Name
BA1378-1	M4284

M4284

Chemical Information

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