F795-0534 Screening compound: 2-[3-(4-fluorobenzyl)-2,4-dioxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(4-methoxyphenyl)acetamide

F795-0534 Screening compound: 2-[3-(4-fluorobenzyl)-2,4-dioxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(4-methoxyphenyl)acetamide
F795-0534 Screening compound: 2-[3-(4-fluorobenzyl)-2,4-dioxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F795-0534
2-[3-(4-fluorobenzyl)-2,4-dioxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(4-methoxyphenyl)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

F795-0534

Molecular Formula

C25H19FN4O4S (C25 H19 FN4 O4 S)

Compound Name

2-[3-(4-fluorobenzyl)-2,4-dioxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(4-methoxyphenyl)acetamide

IUPAC name

2-{5-[(4-fluorophenyl)methyl]-46-dioxo-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraen-3-yl}-N-(4-methoxyphenyl)acetamide

SMILES

COc(cc1)ccc1NC(CN(c1c(C(N2Cc(cc3)ccc3F)=O)sc3ncccc13)C2=O)=O

InChI

InChI=1S/C25H19FN4O4S/c1-34-18-10-8-17(9-11-18)28-20(31)14-29-21-19-3-2-12-27-23(19)35-22(21)24(32)30(25(29)33)13-15-4-6-16(26)7-5-15/h2-12H,13-14H2,1H3,(H,28,31)

InChI Key

HMGLKDRVHVQHMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27190977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.330

Distribution Coefficient, logD

4.330

Water Solubility, LogSw

-4.25

Polar Surface Area

73.270

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

F795-0534 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F795-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F795-0534?
Check Price and Availability of F795-0534, 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 F795-0534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F795-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F795-0534
  • 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 F795-0534 available by request