KF38789

CAT: 0931-T22889-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T22889-02Size:5 mg

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

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CAS Number

257292-29-8

Target

Others

Related Pathways

Others

Purity

0.9815

Bioactivity

KF38789 is a selective inhibitor of P-selectin-mediated cell adhesion and P-selectin immunoglobulin G chimeric protein (IgG) .

Smiles

COc1ccc(C2CC(=NCCS2)C2C(O)OC(C)=CC2=O)c(OC)c1

Molecular Formula

C19H21NO5S

Molecular Weight

375.44

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

3-(7-(2,4-Dimethoxyphenyl)-2,3,6,7-tetrahydro-(1,4)thiazepin-5-yl)-4-hydroxy-6-methylpyran-2-one

3-[7-(2,4-dimethoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione is a dimethoxybenzene.

CAS Number	257292-29-8
PubChem CID	135400439
IUPAC Name	3-[7-(2,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-hydroxy-6-methylpyran-2-one
Molecular Formula	C19H21NO5S
Molecular Weight	375.4
XLogP	2.2
Topological Polar Surface Area	103
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	642

SMILES

CC1=CC(=C(C(=O)O1)C2=NCCSC(C2)C3=C(C=C(C=C3)OC)OC)O

InChI

InChI=1S/C19H21NO5S/c1-11-8-15(21)18(19(22)25-11)14-10-17(26-7-6-20-14)13-5-4-12(23-2)9-16(13)24-3/h4-5,8-9,17,21H,6-7,10H2,1-3H3

InChIKey

NHFIAAAMCYVRIW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 257292-29-8

CID: 135400439

Formula: C19H21NO5S

MW: 375.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	375.4
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	375.11404394
Monoisotopic Mass	375.11404394
Topological Polar Surface Area	103 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	642
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

Alternative Products

Catalog	Name
BUP01237-01	KF38789

KF38789

Chemical Information

Alternative Products

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