L397-0605 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~-(4-fluorophenyl)acetamide

L397-0605 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~-(4-fluorophenyl)acetamide
L397-0605 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~-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L397-0605
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~-(4-fluorophenyl)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)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L397-0605

Molecular Formula

C20H18FN5O4S (C20 H18 FN5 O4 S)

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~-(4-fluorophenyl)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-(4-fluorophenyl)acetamide

SMILES

O=C(CN(C(N1c2c3scc2)=O)N=C1N(CC1OCCC1)C3=O)Nc(cc1)ccc1F

InChI

InChI=1S/C20H18FN5O4S/c21-12-3-5-13(6-4-12)22-16(27)11-25-20(29)26-15-7-9-31-17(15)18(28)24(19(26)23-25)10-14-2-1-8-30-14/h3-7,9,14H,1-2,8,10-11H2,(H,22,27)/t14-/m1/s1

InChI Key

GWPWRFBTQPAZNP-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27251271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.099

Distribution Coefficient, logD

2.099

Water Solubility, LogSw

-2.80

Polar Surface Area

80.757

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

2.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

L397-0605 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

BRD4 Targeted Library (4534 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • 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
Targets:
  • Kinases
  • Others
  • Others
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L397-0605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L397-0605?
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What is the minimum amount of L397-0605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L397-0605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L397-0605
  • 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 L397-0605 available by request