BPTES

CAT: 0127-BISN0095-03Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-BISN0095-03Size:250 mg

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

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CAS Number

314045-39-1

MDL Number

MFCD01079848

Purity

98%

Smiles

O=C(Cc1ccccc1)Nc2nnc(CCSCCc3nnc(NC(=O)Cc4ccccc4)s3)s2

Notes

BPTES is an allosteric inhibitor of kidney-type glutaminase GLS with IC50 of 016 M

Chemical Information

N,N'-[sulfanediylbis(Ethane-2,1-Diyl-1,3,4-Thiadiazole-5,2-Diyl)]bis(2-Phenylacetamide)

CAS Number	314045-39-1
PubChem CID	3372016
IUPAC Name	2-phenyl-N-[5-[2-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
Molecular Formula	C24H24N6O2S3
Molecular Weight	524.7
XLogP	4
Topological Polar Surface Area	192
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	12
Heavy Atom Count	35
Formal Charge	0
Complexity	609

SMILES

C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H24N6O2S3/c31-19(15-17-7-3-1-4-8-17)25-23-29-27-21(34-23)11-13-33-14-12-22-28-30-24(35-22)26-20(32)16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,25,29,31)(H,26,30,32)

InChIKey

MDJIPXYRSZHCFS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 314045-39-1

CID: 3372016

Formula: C24H24N6O2S3

MW: 524.7

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	524.7
XLogP3	4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	12
Exact Mass	524.11228755
Monoisotopic Mass	524.11228755
Topological Polar Surface Area	192 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	609
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

Alternative Products

Catalog	Name
B6008-10	BPTES

BPTES

Chemical Information

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