L858-0538 Screening compound: N~1~-[4-(trifluoromethyl)phenyl]-2-[2,7,9-trimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

L858-0538 Screening compound: N~1~-[4-(trifluoromethyl)phenyl]-2-[2,7,9-trimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide
L858-0538 Screening compound: N~1~-[4-(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 L858-0538
N~1~-[4-(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

L858-0538

Molecular Formula

C21H17F3N4O2S (C21 H17 F3 N4 O2 S)

Compound Name

N~1~-[4-(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-[4-(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(Nc2ccc(C(F)(F)F)cc2)=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)27-14-6-4-13(5-7-14)21(22,23)24/h4-8H,9H2,1-3H3,(H,27,29)

InChI Key

BUQOYANCQPQEHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481029

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

4.330

Distribution Coefficient, logD

4.330

Water Solubility, LogSw

-4.51

Polar Surface Area

54.810

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

L858-0538 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L858-0538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L858-0538?
Check Price and Availability of L858-0538, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L858-0538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L858-0538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L858-0538
  • 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 L858-0538 available by request