TCMDC-135051

CAT: 0607-BA2102-1Size: 1 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0607-BA2102-1Size:1 mg

Selected

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

Quick Request Actions

CAS Number

2413716-15-9

Form

A solid

Molecular Formula

C29H33N3O3

Molecular Weight

471.59

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

CID 139035060

CAS Number	2413716-15-9
PubChem CID	139035060
IUPAC Name	4-[2-[5-(diethylaminomethyl)-2-methoxyphenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-propan-2-ylbenzoic acid
Molecular Formula	C29H33N3O3
Molecular Weight	471.6
XLogP	3.5
Topological Polar Surface Area	78.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Heavy Atom Count	35
Formal Charge	0
Complexity	684

SMILES

CCN(CC)CC1=CC(=C(C=C1)OC)C2=CC3=C(C=CN=C3N2)C4=CC(=C(C=C4)C(=O)O)C(C)C

InChI

InChI=1S/C29H33N3O3/c1-6-32(7-2)17-19-8-11-27(35-5)25(14-19)26-16-24-21(12-13-30-28(24)31-26)20-9-10-22(29(33)34)23(15-20)18(3)4/h8-16,18H,6-7,17H2,1-5H3,(H,30,31)(H,33,34)

InChIKey

XKLPRHHLSQBUIC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2413716-15-9

CID: 139035060

Formula: C29H33N3O3

MW: 471.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	471.6
XLogP3	3.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	471.25219192
Monoisotopic Mass	471.25219192
Topological Polar Surface Area	78.5 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	684
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
B6772-10	CGP 13501
B6772-50	CGP 13501
B6493-50	GR 135531
B7127-50	PD 135158
B6493-10	GR 135531
B7127-10	PD 135158
BA3444-10	PF-1355
BA3444-25	PF-1355
BA8735-10	CNX-1351
BA3444-50	PF-1355

Alternative Products

Catalog	Name
MBS5754021	TCMDC-135051
GTR19184680-01	TCMDC-135051 TFA
T63488-01	TCMDC-135051 hydrochloride
HY-126323B-01	TCMDC-135051 (hydrochloride)
HY-126323A	TCMDC-135051 (TFA)
GTR19227438-01	TCMDC-135051 TFA (2413716-15-9 free base)
HY-132929	TCMDC-125431
MBS5804609	TCMDC-125457
T87497-01	TCMDC-137332
T62588-01	TCMDC-136230

TCMDC-135051

Chemical Information

Related Products

Alternative Products

Popular Products