YKL-5-124

CAT: 0607-BA3764-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No

1 / 1

CAT#:0607-BA3764-5.1Size:1 mL (10 mM in DMSO)

Selected

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

Quick Request Actions

CAS Number

1957203-01-8

Form

A solid

Molecular Formula

C28H33N7O3

Molecular Weight

515.61

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Ykl-5-124

a highly selective covalent CDK7 inhibitor

CAS Number	1957203-01-8
PubChem CID	121443990
IUPAC Name	N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[[4-(prop-2-enoylamino)benzoyl]amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
Molecular Formula	C28H33N7O3
Molecular Weight	515.6
XLogP	2
Topological Polar Surface Area	122
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	38
Formal Charge	0
Complexity	865

SMILES

CC1(C2=C(CN1C(=O)N[C@H](CN(C)C)C3=CC=CC=C3)C(=NN2)NC(=O)C4=CC=C(C=C4)NC(=O)C=C)C

InChI

InChI=1S/C28H33N7O3/c1-6-23(36)29-20-14-12-19(13-15-20)26(37)31-25-21-16-35(28(2,3)24(21)32-33-25)27(38)30-22(17-34(4)5)18-10-8-7-9-11-18/h6-15,22H,1,16-17H2,2-5H3,(H,29,36)(H,30,38)(H2,31,32,33,37)/t22-/m1/s1

InChIKey

KPABJHHKKJIDGX-JOCHJYFZSA-N

Chemical Structure

2D Structure

CAS: 1957203-01-8

CID: 121443990

Formula: C28H33N7O3

MW: 515.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	515.6
XLogP3	2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	515.26448794
Monoisotopic Mass	515.26448794
Topological Polar Surface Area	122 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	865
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

Related Products

Catalog	Name
BA6250-100	YKL-06-062
BA6249-5	YKL-05-099
BA6250-5.1	YKL-06-062
BA6252-10	YKL-06-061
BA6252-5.1	YKL-06-061
BA6249-25	YKL-05-099
BA6250-50	YKL-06-062
BA6252-50	YKL-06-061
BA6249-10	YKL-05-099
BA6250-5	YKL-06-062

Alternative Products

Catalog	Name
558735	YKL-5-124
7157/5	YKL 5-124
HY-101257B-01	YKL-5-124 (TFA)
MBS5754140	YKL-5-124 TFA
T13367-01	YKL-5-124 TFA (1957203-01-8 free base)
YP-W10104-01	Human YKL-40 (YKL-40) ELISA Kit

YKL-5-124

Chemical Information

Related Products

Alternative Products

Popular Products