G881-0041 Screening compound: N~1~-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

G881-0041 Screening compound: N~1~-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide
G881-0041 Screening compound: N~1~-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G881-0041
N~1~-[4-chloro-2-(trifluoromethyl)phenyl]-2-[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

G881-0041

Molecular Formula

C18H10ClF3N4O2S (C18 H10 ClF3 N4 O2 S)

Compound Name

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

IUPAC name

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{6-oxo-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-5-yl}acetamide

SMILES

O=C(CN(C=Nc1c2sc3c1cccn3)C2=O)Nc(cc1)c(C(F)(F)F)cc1Cl

InChI

InChI=1S/C18H10ClF3N4O2S/c19-9-3-4-12(11(6-9)18(20,21)22)25-13(27)7-26-8-24-14-10-2-1-5-23-16(10)29-15(14)17(26)28/h1-6,8H,7H2,(H,25,27)

InChI Key

MMLQSQMBLFCHMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22597807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.82

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

3.551

Distribution Coefficient, logD

3.551

Water Solubility, LogSw

-4.07

Polar Surface Area

56.691

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

G881-0041 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G881-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G881-0041?
Check Price and Availability of G881-0041, 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 G881-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G881-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G881-0041
  • 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 G881-0041 available by request