F464-0117 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-[9-fluoro-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

F464-0117 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-[9-fluoro-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]acetamide
F464-0117 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-[9-fluoro-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F464-0117
N~1~-(1,3-benzodioxol-5-yl)-2-[9-fluoro-4-oxo[1]benzothieno[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

F464-0117

Molecular Formula

C19H12FN3O4S (C19 H12 FN3 O4 S)

Compound Name

N~1~-(1,3-benzodioxol-5-yl)-2-[9-fluoro-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{13-fluoro-6-oxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)3911-pentaen-5-yl}acetamide

SMILES

O=C(CN(C=Nc1c2sc3c1c(F)ccc3)C2=O)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C19H12FN3O4S/c20-11-2-1-3-14-16(11)17-18(28-14)19(25)23(8-21-17)7-15(24)22-10-4-5-12-13(6-10)27-9-26-12/h1-6,8H,7,9H2,(H,22,24)

InChI Key

UZYNAXYXVGRWCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11995070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.116

Distribution Coefficient, logD

3.116

Water Solubility, LogSw

-3.54

Polar Surface Area

65.098

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with F464-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F464-0117?
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What is the minimum amount of F464-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F464-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F464-0117
  • 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 F464-0117 available by request