BRD3067

CAT: 0127-BUP22419-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP22419-01Size:10 mg

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

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CAS Number

1883657-02-0

Synonyms

Brd 3067, BRD-3067, Brd3067

Purity

≥98%

Smiles

O=C (NO) C1=CC=C (C=C1C) CN2C=3C=CC=CC3C4=C2CCN (C) C4

Chemical Information

N-hydroxy-2-methyl-4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide

CAS Number	1883657-02-0
PubChem CID	154701787
IUPAC Name	N-hydroxy-2-methyl-4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide
Molecular Formula	C21H23N3O2
Molecular Weight	349.4
XLogP	2.7
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	26
Formal Charge	0
Complexity	513

SMILES

CC1=C(C=CC(=C1)CN2C3=C(CN(CC3)C)C4=CC=CC=C42)C(=O)NO

InChI

InChI=1S/C21H23N3O2/c1-14-11-15(7-8-16(14)21(25)22-26)12-24-19-6-4-3-5-17(19)18-13-23(2)10-9-20(18)24/h3-8,11,26H,9-10,12-13H2,1-2H3,(H,22,25)

InChIKey

XDQCYFNRZUSCDW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1883657-02-0

CID: 154701787

Formula: C21H23N3O2

MW: 349.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	349.4
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	349.17902698
Monoisotopic Mass	349.17902698
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	513
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

Catalog	Name
BUP12477-01	BRD4097

Catalog	Name
T30578-01	BRD3067
T30578L-01	BRD3067 FA