ML328

CAT: 0607-BA1328-5Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0607-BA1328-5Size:5 mg

Selected

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

Quick Request Actions

CAS Number

634175-34-1

Form

A solid

Molecular Formula

C22H21F3N6O3S

Molecular Weight

506.50

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

8-Ethyl-5-oxo-2-[4-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid

CAS Number	634175-34-1
PubChem CID	1517823
IUPAC Name	8-ethyl-5-oxo-2-[4-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid
Molecular Formula	C22H21F3N6O3S
Molecular Weight	506.5
XLogP	2.9
Topological Polar Surface Area	134
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	4
Heavy Atom Count	35
Formal Charge	0
Complexity	864

SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=CC(=C4)C(F)(F)F)C(=O)O

InChI

InChI=1S/C22H21F3N6O3S/c1-2-29-12-16(19(33)34)17(32)15-11-26-20(28-18(15)29)30-6-8-31(9-7-30)21(35)27-14-5-3-4-13(10-14)22(23,24)25/h3-5,10-12H,2,6-9H2,1H3,(H,27,35)(H,33,34)

InChIKey

USYVBPXJSBDUTJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 634175-34-1

CID: 1517823

Formula: C22H21F3N6O3S

MW: 506.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	506.5
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	4
Exact Mass	506.13479421
Monoisotopic Mass	506.13479421
Topological Polar Surface Area	134 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	864
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
BA3368-25	ML327
B4891-200	ML324
BA1200-1	ML318
BA1200-10	ML318
BA5537-5.1	ML382
BA5537-5	ML382
BA5537-50	ML382
BA3368-5.1	ML327
BA1200-5.1	ML318
B4891-5.1	ML324

Alternative Products

Catalog	Name
HY-136638-01	ML328

ML328

Chemical Information

Related Products

Alternative Products

Popular Products