GSK-25

CAT: 0498-bs-6874C-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0498-bs-6874C-02Size:10 mg

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

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CAS Number

874119-56-9

Conjugation

Unconjugated

Purity

Buffer

Powder

Solubility

DMSO: 100 mg/mL (194.81 mM)

Smiles

CC1NC(=NC(C=1C(=O)NC1C=C2C=NNC2=CC=1F)C1C=CC(Cl)=CC=1F)C1=CC(Cl)=NC=C1

Molecular Formula

C24 H16 Cl2 F2 N6 O

Molecular Weight

513.33

InChI

InChI=1S/C24H16Cl2F2N6O/c1-11-21 (24 (35) 32-19-6-13-10-30-34-18 (13) 9-17 (19) 28) 22 (15-3-2-14 (25) 8-16 (15) 27) 33-23 (31-11) 12-4-5-29-20 (26) 7-12/h2-10,22H,1H3, (H,30,34) (H,31,33) (H,32,35)

Storage Conditions

Store in dry, dark place at -20C for 1 year.

Shelf Life

1 year

Appearance

Solid Power.

Chemical Information

4-(4-chloro-2-fluorophenyl)-2-(2-chloropyridin-4-yl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide

CAS Number	874119-56-9
PubChem CID	11548023
IUPAC Name	4-(4-chloro-2-fluorophenyl)-2-(2-chloro-4-pyridinyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
Molecular Formula	C24H16Cl2F2N6O
Molecular Weight	513.3
XLogP	4.3
Topological Polar Surface Area	95.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	35
Formal Charge	0
Complexity	875

SMILES

CC1=C(C(N=C(N1)C2=CC(=NC=C2)Cl)C3=C(C=C(C=C3)Cl)F)C(=O)NC4=C(C=C5C(=C4)C=NN5)F

InChI

InChI=1S/C24H16Cl2F2N6O/c1-11-21(24(35)32-19-6-13-10-30-34-18(13)9-17(19)28)22(15-3-2-14(25)8-16(15)27)33-23(31-11)12-4-5-29-20(26)7-12/h2-10,22H,1H3,(H,30,34)(H,31,33)(H,32,35)

InChIKey

KZYAHEIPPAPADQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 874119-56-9

CID: 11548023

Formula: C24H16Cl2F2N6O

MW: 513.3

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	513.3
XLogP3	4.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	512.0730709
Monoisotopic Mass	512.0730709
Topological Polar Surface Area	95.1 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	875
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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