MGB-BP-3

CAT: 0607-BA1305-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA1305-10Size:10 mg

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CAS Number

1000277-08-6

Form

A solid

Molecular Formula

C36H37N7O4

Molecular Weight

631.72

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Mgb-bp-3

Mgb Bp 3 is under investigation in clinical trial NCT02518607 (Safety, Blood Levels and Effects of MGB-BP-3).

CAS Number	1000277-08-6
PubChem CID	23730143
IUPAC Name	1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]-4-[[4-[(E)-2-quinolin-3-ylethenyl]benzoyl]amino]pyrrole-2-carboxamide
Molecular Formula	C36H37N7O4
Molecular Weight	631.7
XLogP	3.2
Topological Polar Surface Area	123
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Heavy Atom Count	47
Formal Charge	0
Complexity	1090

SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCN3CCOCC3)C)NC(=O)C4=CC=C(C=C4)/C=C/C5=CC6=CC=CC=C6N=C5

InChI

InChI=1S/C36H37N7O4/c1-41-24-30(20-32(41)35(45)37-13-14-43-15-17-47-18-16-43)40-36(46)33-21-29(23-42(33)2)39-34(44)27-11-9-25(10-12-27)7-8-26-19-28-5-3-4-6-31(28)38-22-26/h3-12,19-24H,13-18H2,1-2H3,(H,37,45)(H,39,44)(H,40,46)/b8-7+

InChIKey

OEKXCVYZBVOWBR-BQYQJAHWSA-N

Chemical Structure

2D Structure

CAS: 1000277-08-6

CID: 23730143

Formula: C36H37N7O4

MW: 631.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	631.7
XLogP3	3.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	631.29070269
Monoisotopic Mass	631.29070269
Topological Polar Surface Area	123 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	1090
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MBS5769523-01	MGB-BP-3
HY-U00035R	MGB-BP-3 (Standard)
AR-M04609-01	MGB-BP-3-d4
GTR18084173	Anti-MGB
E551022-13-PU	MgB Antibody
GTR14653276-01	Oligo Modification Service – 3' MGB [RFQ]
HY-145287	S-MGB-234
abx018038	Myoglobin (MGB) Antibody

MGB-BP-3

Chemical Information

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