L858-0472 Screening compound: N~1~-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2,7,9-trimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

L858-0472 Screening compound: N~1~-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2,7,9-trimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide
L858-0472 Screening compound: N~1~-[4-chloro-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 L858-0472
N~1~-[4-chloro-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

L858-0472

Molecular Formula

C21H16ClF3N4O2S (C21 H16 ClF3 N4 O2 S)

Compound Name

N~1~-[4-chloro-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-[4-chloro-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

Cc1cc(C)nc2c1c(N=C(C)N(CC(Nc(cc1)c(C(F)(F)F)cc1Cl)=O)C1=O)c1s2

InChI

InChI=1S/C21H16ClF3N4O2S/c1-9-6-10(2)26-19-16(9)17-18(32-19)20(31)29(11(3)27-17)8-15(30)28-14-5-4-12(22)7-13(14)21(23,24)25/h4-7H,8H2,1-3H3,(H,28,30)

InChI Key

OUDDOWDNHFRXNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27480990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.9

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

4.762

Distribution Coefficient, logD

4.762

Water Solubility, LogSw

-4.84

Polar Surface Area

54.112

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

L858-0472 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with L858-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L858-0472?
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What is the minimum amount of L858-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L858-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L858-0472
  • 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 L858-0472 available by request