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PHGDH-IN-3

CAT: 0607-BA8244-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8244-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2893778-31-7
Form
A solid
Molecular Formula
C24H18FN3O4S2
Molecular Weight
495.55
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

Phgdh-IN-3
CAS Number2893778-31-7
PubChem CID166638116
IUPAC Name4-[(3-acetylphenyl)sulfamoyl]-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
Molecular FormulaC24H18FN3O4S2
Molecular Weight495.5
XLogP4.1
Topological Polar Surface Area142
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity829
SMILES
CC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC(=CC=C4)F
InChI
InChI=1S/C24H18FN3O4S2/c1-15(29)17-4-3-7-20(13-17)28-34(31,32)21-10-8-16(9-11-21)23(30)27-24-26-22(14-33-24)18-5-2-6-19(25)12-18/h2-14,28H,1H3,(H,26,27,30)
InChIKey
VUAMLKVINZWIJR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phgdh-IN-3
CAS: 2893778-31-7
CID: 166638116
Formula: C24H18FN3O4S2
MW: 495.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight495.5
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass495.07227657
Monoisotopic Mass495.07227657
Topological Polar Surface Area142 Ų
Heavy Atom Count34
Formal Charge0
Complexity829
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BUP08119-01PHGDH-IN-3
MBS6012700-01PHGDH, ID (PHGDH, PGDH3, D-3-phosphoglycerate dehydrogenase)
328130-01PHGDH
MBS6333379-01PHGDH, ID (PHGDH, PGDH3, D-3-phosphoglycerate dehydrogenase) (FITC)
MBS6333377-01PHGDH, ID (PHGDH, PGDH3, D-3-phosphoglycerate dehydrogenase) (APC)
MBS6333378-01PHGDH, ID (PHGDH, PGDH3, D-3-phosphoglycerate dehydrogenase) (Biotin)
MBS6333376-01PHGDH, ID (PHGDH, PGDH3, D-3-phosphoglycerate dehydrogenase) (AP)
MBS6333386-01PHGDH, ID (PHGDH, PGDH3, D-3-phosphoglycerate dehydrogenase) (PE)
MBS6333385-01PHGDH, ID (PHGDH, PGDH3, D-3-phosphoglycerate dehydrogenase) (MaxLight 750)
039955-PEPHGDH, ID (PHGDH, PGDH3, D-3-phosphoglycerate dehydrogenase) (PE) discontinued

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