AP30663

CAT: 0931-T202018-02Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-T202018-02Size:50 mg

Selected

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

Quick Request Actions

CAS Number

2129087-73-4

Bioactivity

AP30663 is a negative allosteric modulator of the KCa2 channel.

Smiles

C(NC=1NC=2C(N1)=CC=CC2)(CC(N(CC#N)C)=O)C3=CC(C(F)(F)F)=CC=C3

Molecular Formula

C20H18F3N5O

Molecular Weight

401.39

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

3-((1H-benzo[d]imidazol-2-yl)amino)-N-(cyanomethyl)-N-methyl-3-(3-(trifluoromethyl)phenyl)propanamide

CAS Number	2129087-73-4
PubChem CID	130366065
IUPAC Name	3-(1H-benzimidazol-2-ylamino)-N-(cyanomethyl)-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
Molecular Formula	C20H18F3N5O
Molecular Weight	401.4
XLogP	4
Topological Polar Surface Area	84.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	29
Formal Charge	0
Complexity	619

SMILES

CN(CC#N)C(=O)CC(C1=CC(=CC=C1)C(F)(F)F)NC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H18F3N5O/c1-28(10-9-24)18(29)12-17(13-5-4-6-14(11-13)20(21,22)23)27-19-25-15-7-2-3-8-16(15)26-19/h2-8,11,17H,10,12H2,1H3,(H2,25,26,27)

InChIKey

KPVQYQOKIIKXMI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2129087-73-4

CID: 130366065

Formula: C20H18F3N5O

MW: 401.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	401.4
XLogP3	4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	401.14634470
Monoisotopic Mass	401.14634470
Topological Polar Surface Area	84.8 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	619
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

Catalog	Name
HY-157557-01	AP30663