X1 compound

CAT: 0957-E1167-100mgSize: 100 mgDry Ice: NoHazardous: No

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CAT#:0957-E1167-100mgSize:100 mg

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

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CAS Number

2863686-82-0

Target

Others

Applications

Others

Smiles

C (OC1=CC (=CC=C1) C2=CC=C3[NH]N=C (C4=NC5=C ([NH]4) C=CC=C5) C3=C2) C6=CC=CC=C6

Molecular Formula

C27H20N4O

Additionnal Information

X1 compound binding reduces the conformational space of RepA, displaces cognate interacting protein factors (PRC2 and SPEN), suppresses histone H3K27 trimethylation, and blocks initiation of X-chromosome inactivation.

Storage Conditions

3 years -20°C powder

Chemical Information

Spen-IN-1

CAS Number	2863686-82-0
PubChem CID	162679641
IUPAC Name	3-(1H-benzimidazol-2-yl)-5-(3-phenylmethoxyphenyl)-1H-indazole
Molecular Formula	C27H20N4O
Molecular Weight	416.5
XLogP	5.9
Topological Polar Surface Area	66.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	32
Formal Charge	0
Complexity	610

SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=CC4=C(C=C3)NN=C4C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C27H20N4O/c1-2-7-18(8-3-1)17-32-21-10-6-9-19(15-21)20-13-14-23-22(16-20)26(31-30-23)27-28-24-11-4-5-12-25(24)29-27/h1-16H,17H2,(H,28,29)(H,30,31)

InChIKey

NKMNBWKGYNRJDP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2863686-82-0

CID: 162679641

Formula: C27H20N4O

MW: 416.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	416.5
XLogP3	5.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	416.16371127
Monoisotopic Mass	416.16371127
Topological Polar Surface Area	66.6 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	610
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

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E0363	Compound 11
E0363-25mg	Compound 11
E0363-5mg	Compound 11
S6506-5mg	Compound 401
S0058-01	Compound E
S0058-1mg	Compound E
S0058-5mg	Compound E

Alternative Products

Catalog	Name
ALX-550-516-M025	Compound A
XXC35825-01	Compound 3a
Fr16729-01	Compound Fr16729
PDK0296-01	Compound PDK0296
PDK0264-01	Compound PDK0264
Fr14090-01	Compound Fr14090
Fr14018-01	Compound Fr14018
Fr13991-01	Compound Fr13991
Fr13830-01	Compound Fr13830
Fr13814-01	Compound Fr13814

X1 compound

Chemical Information

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