JNJ-DGAT1-A

CAT: 0931-T27690-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T27690-01Size:25 mg

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

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CAS Number

1092067-85-0

Target

Others, Acyltransferase

Related Pathways

Others, Metabolism

Bioactivity

JNJ-DGAT1-A is a DGAT1-selective inhibitor.

Smiles

N(C(CC1=CC=C(OC)C=C1)=O)C2=CC=C(C=C2)N3CCN(C(NC4=C(Cl)C=C(CN5CCCC5)C=C4Cl)=O)CC3

Molecular Formula

C31H35Cl2N5O3

Molecular Weight

596.55

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Jnj-dgat1-A

CAS Number	1092067-85-0
PubChem CID	25102822
IUPAC Name	N-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]piperazine-1-carboxamide
Molecular Formula	C31H35Cl2N5O3
Molecular Weight	596.5
XLogP	5
Topological Polar Surface Area	77.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	41
Formal Charge	0
Complexity	826

SMILES

COC1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)NC4=C(C=C(C=C4Cl)CN5CCCC5)Cl

InChI

InChI=1S/C31H35Cl2N5O3/c1-41-26-10-4-22(5-11-26)20-29(39)34-24-6-8-25(9-7-24)37-14-16-38(17-15-37)31(40)35-30-27(32)18-23(19-28(30)33)21-36-12-2-3-13-36/h4-11,18-19H,2-3,12-17,20-21H2,1H3,(H,34,39)(H,35,40)

InChIKey

SXKMCHGAAJTXPZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1092067-85-0

CID: 25102822

Formula: C31H35Cl2N5O3

MW: 596.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	596.5
XLogP3	5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	595.2116954
Monoisotopic Mass	595.2116954
Topological Polar Surface Area	77.2 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	826
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T27691-01	JNJ-DGAT2-A
T27692-01	JNJ-DGAT2-B
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T62220-01	DGAT1-IN-3
T71307-01	JNJ-40413269
T68256-01	JNJ-38893777
T212088-01	JNJ-6640
T27680-01	JNJ-40068782
T72918-01	JNJ-49095397
T15620-01	JNJ-5207787

Alternative Products

Catalog	Name
HY-16266	JNJ-DGAT1-A
E8ER1907-35	DGAT1
MBS131356	JNJ-63533054 (JNJ63533054; JNJ 63533054)
70R-16806	DGAT1 antibody
BA7114-5.1	DGAT1-IN-1
560303-01	DGAT1 (HRP)
560301-01	DGAT1 (Biotin)
388276	DGAT1 discontinued
45-475P	DGAT1 Peptide
BA7124-1	DGAT1-IN-3

JNJ-DGAT1-A

Chemical Information

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