SCH 42495 racemate

CAT: 0931-T12866-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T12866-01Size:25 mg

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

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CAS Number

145841-10-7

Target

Others, Neprilysin

Related Pathways

Others, Metabolism

Bioactivity

SCH 42495 racemate is the racemate of SCH 42495, an orally active neutral inhibitor of metalloendopeptidase (NEP) with antihypertensive effects.

Smiles

C(CC1=C(C)C=CC=C1)(C(N[C@H](C(OCC)=O)CCSC)=O)CSC(C)=O

Molecular Formula

C20H29NO4S2

Molecular Weight

411.58

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Sch-42495 racemate

CAS Number	145841-10-7
PubChem CID	11856583
IUPAC Name	ethyl (2S)-2-[[2-(acetylsulfanylmethyl)-3-(2-methylphenyl)propanoyl]amino]-4-methylsulfanylbutanoate
Molecular Formula	C20H29NO4S2
Molecular Weight	411.6
XLogP	3.6
Topological Polar Surface Area	123
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	13
Heavy Atom Count	27
Formal Charge	0
Complexity	487

SMILES

CCOC(=O)[C@H](CCSC)NC(=O)C(CC1=CC=CC=C1C)CSC(=O)C

InChI

InChI=1S/C20H29NO4S2/c1-5-25-20(24)18(10-11-26-4)21-19(23)17(13-27-15(3)22)12-16-9-7-6-8-14(16)2/h6-9,17-18H,5,10-13H2,1-4H3,(H,21,23)/t17?,18-/m0/s1

InChIKey

ZVQXPUMRSJGLSF-ZVAWYAOSSA-N

Chemical Structure

2D Structure

CAS: 145841-10-7

CID: 11856583

Formula: C20H29NO4S2

MW: 411.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	411.6
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	13
Exact Mass	411.15380075
Monoisotopic Mass	411.15380075
Topological Polar Surface Area	123 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	487
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T12641L-01	SCH 42495
T12641-01	(R) -SCH 42495
T28722-01	SCH 57790
T204646-01	SCH-23390
T16863	SCH 546738
T34568-01	Sch 33440
T28715-01	Sch 34826
T28720-01	Sch 44643
T6979-01	SCH 58261
T19686-01	SCH-37370

Alternative Products

Catalog	Name
VFA84110-01	Sch-42495 racemate
MBS5767584	SCH 42495 racemate
HY-101682A	SCH 42495 (racemate)
A21408-50	Sch-42495 racemate 50mg
A21408-25	Sch-42495 racemate 25mg
A21408-10	Sch-42495 racemate 10mg
A21408-5	Sch-42495 racemate 5mg
A21408-100	Sch-42495 racemate 100mg
A21408-1	Sch-42495 racemate 1mg
MBS5767445	SCH 42495

SCH 42495 racemate

Chemical Information

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