L397-0747 Screening compound: N~1~-(tert-butyl)-2-[4-(2-furylmethyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide

L397-0747 Screening compound: N~1~-(tert-butyl)-2-[4-(2-furylmethyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide
L397-0747 Screening compound: N~1~-(tert-butyl)-2-[4-(2-furylmethyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L397-0747
N~1~-(tert-butyl)-2-[4-(2-furylmethyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]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

L397-0747

Molecular Formula

C18H19N5O4S (C18 H19 N5 O4 S)

Compound Name

N~1~-(tert-butyl)-2-[4-(2-furylmethyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide

IUPAC name

N-tert-butyl-2-{8-[(furan-2-yl)methyl]-712-dioxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-trien-11-yl}acetamide

SMILES

CC(C)(C)NC(CN(C(N1c2c3scc2)=O)N=C1N(Cc1ccco1)C3=O)=O

InChI

InChI=1S/C18H19N5O4S/c1-18(2,3)19-13(24)10-22-17(26)23-12-6-8-28-14(12)15(25)21(16(23)20-22)9-11-5-4-7-27-11/h4-8H,9-10H2,1-3H3,(H,19,24)

InChI Key

GIJDVCGRZCWLPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27251350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.45

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

2.291

Distribution Coefficient, logD

2.291

Water Solubility, LogSw

-2.77

Polar Surface Area

80.269

Acid Dissociation Constant (pKa)

15.79

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L397-0747 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with L397-0747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L397-0747?
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What is the minimum amount of L397-0747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L397-0747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L397-0747
  • 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 L397-0747 available by request