Mtb ATP synthase-IN-1

CAT: 0607-C8520-10Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0607-C8520-10Size:10 mg

Selected

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

Quick Request Actions

CAS Number

2642394-38-3

Molecular Formula

C17H13N3O4

Molecular Weight

323.30

Storage Conditions

Store at -20°C

Physical Properties

A solid

Chemical Information

Mtb ATP synthase-IN-1

CAS Number	2642394-38-3
PubChem CID	162662421
IUPAC Name	3-(1,3-benzodioxol-5-ylamino)-4-(pyridin-2-ylmethylamino)cyclobut-3-ene-1,2-dione
Molecular Formula	C17H13N3O4
Molecular Weight	323.30
XLogP	1.8
Topological Polar Surface Area	89.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	562

SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=O)C3=O)NCC4=CC=CC=N4

InChI

InChI=1S/C17H13N3O4/c21-16-14(19-8-11-3-1-2-6-18-11)15(17(16)22)20-10-4-5-12-13(7-10)24-9-23-12/h1-7,19-20H,8-9H2

InChIKey

ZEYYGLIHJGBVNS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2642394-38-3

CID: 162662421

Formula: C17H13N3O4

MW: 323.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	323.30
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	323.09060590
Monoisotopic Mass	323.09060590
Topological Polar Surface Area	89.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	562
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

Catalog	Name
MA1358-.05	Anti-ATP Synthase C Rabbit Monoclonal Antibody
MA1358-.1	Anti-ATP Synthase C Rabbit Monoclonal Antibody
MA4343-.1	Anti-Phospho-ATP Citrate Synthase (Thr447/Ser451) Rabbit Monoclonal Antibody
MA4343-.05	Anti-Phospho-ATP Citrate Synthase (Thr447/Ser451) Rabbit Monoclonal Antibody
C6931-100	ATP
C6931-500	ATP
B7999-.1	Ara-ATP
B7999-.01	Ara-ATP
B7999-.05	Ara-ATP
MA2852-.05	Anti-Glycogen Synthase 1 Rabbit Monoclonal Antibody

Catalog	Name
140731	HAS1 (HAS, Hyaluronan Synthase 1, Hyaluronate Synthase 1, Hyaluronic Acid Synthase 1)
478764	CTPS1 (CTP Synthase 1, CTP Synthase)
475784	ASS1 (Argininosuccinate Synthase, Argininosuccinate Synthase 1)
493823	TGS1 (Trimethylguanosine Synthase, Trimethylguanosine Synthase 1)
478597	CRLS1 (Cardiolipin Synthase, Cardiolipin Synthase 1)
HY-147721	Dihydropteroate synthase-IN-1
T62898-01	Glucosylceramide synthase-IN-1
328181	Phosphatidylglycerophosphate synthase 1
T81109-01	Squalene synthase-IN-1
AP83558	Hyaluronan synthase 1