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KL001

CAT: 1410-M13992-07Size: 500 mgDry Ice: NoHazardous: No
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CAT#:1410-M13992-07Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KL001 (KL-001) is a small molecule that specifically interacts with cryptochrome (CRY) and small molecule modulator of the circadian clock.
CAS Number
309928-48-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
398.477
Molecular Formula
C21H22N2O4S
Notes
Research use only, not for human use.
Receptor
DUB

Chemical Information

KL001

KL001 is an organic molecular entity.

CAS Number309928-48-1
PubChem CID2888648
IUPAC NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)methanesulfonamide
Molecular FormulaC21H22N2O4S
Molecular Weight398.5
XLogP2.5
Topological Polar Surface Area84.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity600
SMILES
CS(=O)(=O)N(CC1=CC=CO1)CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O
InChI
InChI=1S/C21H22N2O4S/c1-28(25,26)22(15-17-7-6-12-27-17)13-16(24)14-23-20-10-4-2-8-18(20)19-9-3-5-11-21(19)23/h2-12,16,24H,13-15H2,1H3
InChIKey
OQAFDLPAPSSOHY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of KL001
CAS: 309928-48-1
CID: 2888648
Formula: C21H22N2O4S
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass398.13002836
Monoisotopic Mass398.13002836
Topological Polar Surface Area84.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity600
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
S6304-25mgKL001

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