L397-0620 Screening compound: 2-[1,5-dioxo-4-(tetrahydro-2-furanylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-[3-(methylsulfanyl)phenyl]acetamide

Chemical Structure Depiction of ChemDiv screening compound L397-0620
2-[1,5-dioxo-4-(tetrahydro-2-furanylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-[3-(methylsulfanyl)phenyl]acetamide

Available from 1 mg

Formats:

Glass Vials (4ml Glass Vials VWR #97047-678)
96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L397-0620

Molecular Formula

C₂₁H₂₁N₅O₄S₂ (C21 H21 N5 O4 S2)

Compound Name

2-[1,5-dioxo-4-(tetrahydro-2-furanylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-[3-(methylsulfanyl)phenyl]acetamide

IUPAC name

2-{712-dioxo-8-[(oxolan-2-yl)methyl]-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-trien-11-yl}-N-[3-(methylsulfanyl)phenyl]acetamide

SMILES

CSc1cccc(NC(CN(C(N2c3c4scc3)=O)N=C2N(CC2OCCC2)C4=O)=O)c1

InChI

InChI=1S/C21H21N5O4S2/c1-31-15-6-2-4-13(10-15)22-17(27)12-25-21(29)26-16-7-9-32-18(16)19(28)24(20(26)23-25)11-14-5-3-8-30-14/h2,4,6-7,9-10,14H,3,5,8,11-12H2,1H3,(H,22,27)/t14-/m1/s1

InChI Key

RZYGDWUUGLAWKE-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27251280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

2.531

Distribution Coefficient, logD

2.531

Water Solubility, LogSw

-2.91

Polar Surface Area

80.757

Acid Dissociation Constant (pK_a)

13.06

Base Dissociation Constant (pK_b)

1.74

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

33.30

L397-0620 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Cancer
Female
Congenital
Skin
Cancer
Musculoskeletal
Digestive system
Respiratory tract
Male
Female
Hemic and lymphatic
Metabolic
Infections
Cancer
Musculoskeletal
Digestive system
Respiratory tract
Male
Female
Cardiovascular
Skin
Metabolic
Immune system
Cancer
Digestive system
Respiratory tract
Nervous system
Eye
Cardiovascular

Targets:

Kinases
Others
Proteases
GPCR

Mechanism of action:

Epigenetic
Receptor's ligands

References: we are preparing a list of scientific research reports with L397-0620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L397-0620?
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What is the minimum amount of L397-0620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for L397-0620
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for L397-0620

0.5–50 mg of dry powder sample in single glass vials, custom vials
DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of L397-0620 available by request