Products for Research Use Only
RegisterLogin

RORγt/DHODH-IN-1

CAT: 0013-GTR19184613-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19184613-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
RORγt/DHODH-IN-1
CAS Number
2764662-15-7
Field of Research
Metabolism Research
Smiles
N (C1=NC2=C (S1) CCC[C@H]2O) C3=C (C) C (OC4CCN (C (CC (C (F) (F) F) C (F) (F) F) =O) CC4) =CC (Cl) =C3
Molecular Formula
C24H26ClF6N3O3S
Molecular Weight
585.99
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

ROR|At/DHODH-IN-1
CAS Number2764662-15-7
PubChem CID163196294
IUPAC Name1-[4-[5-chloro-3-[[(4R)-4-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-2-methylphenoxy]piperidin-1-yl]-4,4,4-trifluoro-3-(trifluoromethyl)butan-1-one
Molecular FormulaC24H26ClF6N3O3S
Molecular Weight586.0
XLogP6.2
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity802
SMILES
CC1=C(C=C(C=C1OC2CCN(CC2)C(=O)CC(C(F)(F)F)C(F)(F)F)Cl)NC3=NC4=C(S3)CCC[C@H]4O
InChI
InChI=1S/C24H26ClF6N3O3S/c1-12-15(32-22-33-21-16(35)3-2-4-18(21)38-22)9-13(25)10-17(12)37-14-5-7-34(8-6-14)20(36)11-19(23(26,27)28)24(29,30)31/h9-10,14,16,19,35H,2-8,11H2,1H3,(H,32,33)/t16-/m1/s1
InChIKey
AFZMZLHHVUIZBS-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of ROR|At/DHODH-IN-1
CAS: 2764662-15-7
CID: 163196294
Formula: C24H26ClF6N3O3S
MW: 586.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight586.0
XLogP36.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass585.1287595
Monoisotopic Mass585.1287595
Topological Polar Surface Area103 Ų
Heavy Atom Count38
Formal Charge0
Complexity802
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19184602-01RORγt/DHODH-IN-3
GTR19186139-01RORγt/DHODH-IN-2
GTR19204923-01RORγt agonist 1
GTR19189583RORγt inhibitor 1
GTR19212675-01RORγt modulator 5
GTR18895704ROR gamma T peptide
GTR19184952-01RORγt modulator 2
GTR19249619-01RORγt inhibitor 4
GTR19212676-01RORγt inhibitor 2
GTR19185540-01RORγt modulator 4

Alternative Products

CatalogName
HY-142843RORγt/DHODH-IN-1
HY-142847RORγt/DHODH-IN-3
HY-142834RORγt/DHODH-IN-2
HY-169220SRORγ/DHODH-IN-1
HY-169222SRORγ/DHODH-IN-2
T39038RORγt inhibitor 1
HY-126321RORγt agonist 1
YP-W35917-01Rat RORγt (RORγt) ELISA Kit
NBP2-29335VPR-66 ROR gamma T and ROR alpha Inhibitor (ROR gamma T and ROR alpha Inhibitor)
TBI4008-25MGSR0987, RORγt agonist

Popular Products