Valecobulin

CAT: 0931-T13278L-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T13278L-02Size:25 mg

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

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CAS Number

1188371-47-2

Target

Microtubule Associated, Others

Related Pathways

Cytoskeletal Signaling, Others

Bioactivity

Valecobulin is a potent β-tubulin polymerization inhibitor. Valecobulin is a valine prodrug of (S516) and an avascular disrupting compound.

Smiles

COc1cc(cc(OC)c1OC)C(=O)c1ccc(cc1-n1cncn1)-c1csc(NC(=O)[C@@H](N)C(C)C)n1

Molecular Formula

C26H28N6O5S

Molecular Weight

536.6

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

CKD-516 free base

Valecobulin is a small molecule drug. Valecobulin has a monoisotopic molecular weight of 536.18 Da.

CAS Number	1188371-47-2
PubChem CID	44243402
IUPAC Name	(2S)-2-amino-3-methyl-N-[4-[3-(1,2,4-triazol-1-yl)-4-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazol-2-yl]butanamide
Molecular Formula	C26H28N6O5S
Molecular Weight	536.6
XLogP	3.6
Topological Polar Surface Area	172
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Heavy Atom Count	38
Formal Charge	0
Complexity	794

SMILES

CC(C)[C@@H](C(=O)NC1=NC(=CS1)C2=CC(=C(C=C2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)N4C=NC=N4)N

InChI

InChI=1S/C26H28N6O5S/c1-14(2)22(27)25(34)31-26-30-18(11-38-26)15-6-7-17(19(8-15)32-13-28-12-29-32)23(33)16-9-20(35-3)24(37-5)21(10-16)36-4/h6-14,22H,27H2,1-5H3,(H,30,31,34)/t22-/m0/s1

InChIKey

UKKRUIXIDCWALA-QFIPXVFZSA-N

Chemical Structure

2D Structure

CAS: 1188371-47-2

CID: 44243402

Formula: C26H28N6O5S

MW: 536.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	536.6
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Exact Mass	536.18418919
Monoisotopic Mass	536.18418919
Topological Polar Surface Area	172 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	794
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
BA4254-10	Valecobulin
A21242-50	Valecobulin 50mg
A21242-10	Valecobulin 10mg
GTR19175653-01	Valecobulin hydrochloride
A21242-5	Valecobulin 5mg
A21242-100	Valecobulin 100mg
A21242-25	Valecobulin 25mg
HY-13598A-01	Valecobulin (hydrochloride)

Valecobulin

Chemical Information

Alternative Products

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