L858-0480 Screening compound: N~1~-[2-(trifluoromethyl)phenyl]-2-[2,7,9-trimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

L858-0480 Screening compound: N~1~-[2-(trifluoromethyl)phenyl]-2-[2,7,9-trimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide
L858-0480 Screening compound: N~1~-[2-(trifluoromethyl)phenyl]-2-[2,7,9-trimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L858-0480
N~1~-[2-(trifluoromethyl)phenyl]-2-[2,7,9-trimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-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

L858-0480

Molecular Formula

C21H17F3N4O2S (C21 H17 F3 N4 O2 S)

Compound Name

N~1~-[2-(trifluoromethyl)phenyl]-2-[2,7,9-trimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

IUPAC name

N-[2-(trifluoromethyl)phenyl]-2-{41113-trimethyl-6-oxo-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)3911-pentaen-5-yl}acetamide

SMILES

Cc1c(c(N=C(C)N(CC(Nc2c(C(F)(F)F)cccc2)=O)C2=O)c2s2)c2nc(C)c1

InChI

InChI=1S/C21H17F3N4O2S/c1-10-8-11(2)25-19-16(10)17-18(31-19)20(30)28(12(3)26-17)9-15(29)27-14-7-5-4-6-13(14)21(22,23)24/h4-8H,9H2,1-3H3,(H,27,29)

InChI Key

QJLSOWLGHFHQBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27480996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.973

Distribution Coefficient, logD

3.973

Water Solubility, LogSw

-4.34

Polar Surface Area

54.112

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with L858-0480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L858-0480?
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What is the minimum amount of L858-0480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L858-0480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L858-0480
  • 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 L858-0480 available by request