BTK IN-1 1mg

CAT: 0628-A19463-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0628-A19463-1Size:1 mg

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CAS Number

1270014-40-8

Chemical Information

Btk IN-1

CAS Number	1270014-40-8
PubChem CID	50924632
IUPAC Name	2-(3-chloroanilino)-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide
Molecular Formula	C19H21ClN6O
Molecular Weight	384.9
XLogP	3.3
Topological Polar Surface Area	85.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	509

SMILES

C1CC(CN(C1)C2=NC=NC3=C2C=CN3)NC(=O)CNC4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H21ClN6O/c20-13-3-1-4-14(9-13)22-10-17(27)25-15-5-2-8-26(11-15)19-16-6-7-21-18(16)23-12-24-19/h1,3-4,6-7,9,12,15,22H,2,5,8,10-11H2,(H,25,27)(H,21,23,24)

InChIKey

SPSNKQVUYDXOGY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1270014-40-8

CID: 50924632

Formula: C19H21ClN6O

MW: 384.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	384.9
XLogP3	3.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	384.1465370
Monoisotopic Mass	384.1465370
Topological Polar Surface Area	85.9 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	509
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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A19463-25	BTK IN-1 25mg
A19463-100	BTK IN-1 100mg
A19463-50	BTK IN-1 50mg
A19463-10	BTK IN-1 10mg
A19463-5	BTK IN-1 5mg

Alternative Products

Catalog	Name
OF59775-01	1,1,1,1,1-Kestoheptaose
N2864-5.1	1,1,1,1-Kestohexaose
112040	1,1,1,1-Kestohexose
410417-01	1,1,1-Trichloromethanesulfonic Acid 1,1'-Anhydride
IFA69273-01	1-Iodobicyclo[1.1.1]pentane
OR312388	1-Phenylbicyclo[1.1.1]pentane
GTR19217879-01	AMPK-α1β1γ1 activator 1
OR300179	1-Isothiocyanatobicyclo[1.1.1]pentane

BTK IN-1 1mg

Chemical Information

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