MR837

CAT: 0127-BUP12968-05Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP12968-05Size:100 mg

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

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CAS Number

1210906-48-1

Synonyms

NSD2-PWWP1 antagonist 3f, ZINC30303842

Purity

=98%

Smiles

O=C(N(Cc1cccs1)C1CC1)c1ccc(cc1)C#N

Chemical Information

4-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide

CAS Number	1210906-48-1
PubChem CID	37484611
IUPAC Name	4-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
Molecular Formula	C16H14N2OS
Molecular Weight	282.4
XLogP	2.9
Topological Polar Surface Area	72.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	20
Formal Charge	0
Complexity	404

SMILES

C1CC1N(CC2=CC=CS2)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H14N2OS/c17-10-12-3-5-13(6-4-12)16(19)18(14-7-8-14)11-15-2-1-9-20-15/h1-6,9,14H,7-8,11H2

InChIKey

WYAGGMZTARRIDX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1210906-48-1

CID: 37484611

Formula: C16H14N2OS

MW: 282.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	282.4
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	282.08268425
Monoisotopic Mass	282.08268425
Topological Polar Surface Area	72.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	404
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