P-Nitroblebbistatin

CAT: 0926-WPC32632-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-WPC32632-02Size:10 mg

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CAS Number

1621326-32-6

MDL Number

MFCD32062796

Smiles

CC1=CC2=C (C=C1) N=C3C (C2=O) (CCN3C4=CC=C (C=C4) [N+] (=O) [O-]) O

Molecular Formula

C18H15N3O4

Molecular Weight

337.3 g/mol

Controlled

Chemical Information

p-Nitroblebbistatin

CAS Number	1621326-32-6
PubChem CID	102361739
IUPAC Name	(3aS)-3a-hydroxy-6-methyl-1-(4-nitrophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
Molecular Formula	C18H15N3O4
Molecular Weight	337.3
XLogP	2.2
Topological Polar Surface Area	98.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	25
Formal Charge	0
Complexity	608

SMILES

CC1=CC2=C(C=C1)N=C3[C@](C2=O)(CCN3C4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C18H15N3O4/c1-11-2-7-15-14(10-11)16(22)18(23)8-9-20(17(18)19-15)12-3-5-13(6-4-12)21(24)25/h2-7,10,23H,8-9H2,1H3/t18-/m1/s1

InChIKey

KAUXNLHXGQGFOS-GOSISDBHSA-N

Chemical Structure

2D Structure

CAS: 1621326-32-6

CID: 102361739

Formula: C18H15N3O4

MW: 337.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	337.3
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	337.10625597
Monoisotopic Mass	337.10625597
Topological Polar Surface Area	98.7 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	608
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
QBA61535-01	P, p'-Dimethoxytriphenylcarbinol
SBA09205-01	P, P'-[ (1,2-Phenylene) bis (methylene) ]bisphosphonic acid P, P, P', P'-tetraethyl ester
BAA08977	P, P'-Diphenylethylenediphosphinic acid
FA153498-01	Allyl P, P-diethylphosphonoacetate
AAA33925	P-Fluorophenyl-p-methoxyphenyl sulfone
VAA37537-01	P-Hydroxy-N- (p-hydroxyphenethyl) -cinnamamide
DSC51397-01	BMeS-p-A
LBA94485-01	Panadoxine P
ZAA08319	P-Dodecyloxybenzaldehyde
NAA19579-01	±, ±, p-Tribromoacetophenone

Catalog	Name
HY-120870-01	Para-Nitroblebbistatin
A18718-10	Para-Nitroblebbistatin 10mg
A18718-5	Para-Nitroblebbistatin 5mg
A18718-200	Para-Nitroblebbistatin 200mg
A18718-25	Para-Nitroblebbistatin 25mg
A18718-1	Para-Nitroblebbistatin 1mg
A18718-100	Para-Nitroblebbistatin 100mg
A18718-50	Para-Nitroblebbistatin 50mg
A18718-10mM-D	Para-Nitroblebbistatin 10mM * 1mL in DMSO
HY-157093	Cytidine, 5′- (P, P′, P′′, P′′-tetrahydrogen imidotriphosphate)