F795-0087 Screening compound: N~1~-(3,4-difluorophenyl)-2-[2,4-dioxo-3-phenethyl-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-1(2H)-yl]acetamide

F795-0087 Screening compound: N~1~-(3,4-difluorophenyl)-2-[2,4-dioxo-3-phenethyl-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-1(2H)-yl]acetamide
F795-0087 Screening compound: N~1~-(3,4-difluorophenyl)-2-[2,4-dioxo-3-phenethyl-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-1(2H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F795-0087
N~1~-(3,4-difluorophenyl)-2-[2,4-dioxo-3-phenethyl-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-1(2H)-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

F795-0087

Molecular Formula

C25H18F2N4O3S (C25 H18 F2 N4 O3 S)

Compound Name

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

IUPAC name

N-(34-difluorophenyl)-2-[46-dioxo-5-(2-phenylethyl)-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraen-3-yl]acetamide

SMILES

O=C(CN(c1c(C(N2CCc3ccccc3)=O)sc3ncccc13)C2=O)Nc(cc1)cc(F)c1F

InChI

InChI=1S/C25H18F2N4O3S/c26-18-9-8-16(13-19(18)27)29-20(32)14-31-21-17-7-4-11-28-23(17)35-22(21)24(33)30(25(31)34)12-10-15-5-2-1-3-6-15/h1-9,11,13H,10,12,14H2,(H,29,32)

InChI Key

MQFHXPNYPKUGSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27190856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.830

Distribution Coefficient, logD

4.822

Water Solubility, LogSw

-5.04

Polar Surface Area

65.704

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with F795-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F795-0087?
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What is the minimum amount of F795-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F795-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F795-0087
  • 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 F795-0087 available by request