SD-06

CAT: 0127-BISN0285-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BISN0285-04Size:50 mg

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CAS Number

271576-80-8

MDL Number

MFCD17019341

Purity

98%

Smiles

OCC(=O)N1CCC(CC1)c2n[nH]c(c3ccc(Cl)cc3)c2c4ccncn4

Notes

MAPK/ERK Signalling Pathway

Chemical Information

Sd-0006

SD-06 is a member of the class of pyrazoles that is 1H-pyrazole in which the hydrogens at positions 3, 4, and 5 are replaced by N-(hydroxyacetyl)piperidin-4-yl, pyrimidin-4-yl and p-chlorophenyl groups, respectively. It is a primary alcohol, a member of pyrazoles, a member of pyrimidines, a N-acylpiperidine and a member of monochlorobenzenes.

CAS Number	271576-80-8
PubChem CID	9865587
IUPAC Name	1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
Molecular Formula	C20H20ClN5O2
Molecular Weight	397.9
XLogP	1.9
Topological Polar Surface Area	95
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	28
Formal Charge	0
Complexity	523

SMILES

C1CN(CCC1C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4)C(=O)CO

InChI

InChI=1S/C20H20ClN5O2/c21-15-3-1-13(2-4-15)19-18(16-5-8-22-12-23-16)20(25-24-19)14-6-9-26(10-7-14)17(28)11-27/h1-5,8,12,14,27H,6-7,9-11H2,(H,24,25)

InChIKey

CATQHDWESBRRQA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 271576-80-8

CID: 9865587

Formula: C20H20ClN5O2

MW: 397.9

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	397.9
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	397.1305526
Monoisotopic Mass	397.1305526
Topological Polar Surface Area	95 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	523
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
BUP02350-01	SD-208
BUP09863-01	SD 0006
BUP22243-01	SD-436
BUP11855-01	SD-169
BUP05602-01	SD-36 TFA
BUP12475-01	FLI-06
BUP05199-01	YKL-06-062
BUP09071-01	YKL-06-061
BUP04266-01	JH-RE-06
BUP09728-01	DGY-06-116

Alternative Products

Catalog	Name
MBS131759-01	SD-06
A11563-10	SD-06 10mg
A11563-50	SD-06 50mg
A11563-2	SD-06 2mg
A11563-100	SD-06 100mg
A11563-200	SD-06 200mg
A11563-25	SD-06 25mg
A11563-5	SD-06 5mg
A11563-10mM-D	SD-06 10mM * 1mL in DMSO
MBS131434	SD-208 (SD 208; SD208)

SD-06

Chemical Information

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