F464-0516 Screening compound: 2-[9-fluoro-2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(2-methoxy-5-methylphenyl)acetamide

F464-0516 Screening compound: 2-[9-fluoro-2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(2-methoxy-5-methylphenyl)acetamide
F464-0516 Screening compound: 2-[9-fluoro-2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(2-methoxy-5-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F464-0516
2-[9-fluoro-2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(2-methoxy-5-methylphenyl)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

F464-0516

Molecular Formula

C21H18FN3O3S (C21 H18 FN3 O3 S)

Compound Name

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

IUPAC name

2-{13-fluoro-4-methyl-6-oxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)3911-pentaen-5-yl}-N-(2-methoxy-5-methylphenyl)acetamide

SMILES

Cc(cc1)cc(NC(CN(C(C)=Nc2c3sc4c2c(F)ccc4)C3=O)=O)c1OC

InChI

InChI=1S/C21H18FN3O3S/c1-11-7-8-15(28-3)14(9-11)24-17(26)10-25-12(2)23-19-18-13(22)5-4-6-16(18)29-20(19)21(25)27/h4-9H,10H2,1-3H3,(H,24,26)

InChI Key

NZDVOZKDNRBAMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11996032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.46

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

3.519

Distribution Coefficient, logD

3.519

Water Solubility, LogSw

-4.04

Polar Surface Area

52.962

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with F464-0516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F464-0516?
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What is the minimum amount of F464-0516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F464-0516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F464-0516
  • 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 F464-0516 available by request