F464-0510 Screening compound: methyl 4-({2-[9-fluoro-2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]acetyl}amino)benzoate

F464-0510 Screening compound: methyl 4-({2-[9-fluoro-2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]acetyl}amino)benzoate
F464-0510 Screening compound: methyl 4-({2-[9-fluoro-2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F464-0510
methyl 4-({2-[9-fluoro-2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]acetyl}amino)benzoate

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

F464-0510

Molecular Formula

C21H16FN3O4S (C21 H16 FN3 O4 S)

Compound Name

methyl 4-({2-[9-fluoro-2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]acetyl}amino)benzoate

IUPAC name

methyl 4-(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}acetamido)benzoate

SMILES

CC(N(CC(Nc(cc1)ccc1C(OC)=O)=O)C1=O)=Nc2c1sc1c2c(F)ccc1

InChI

InChI=1S/C21H16FN3O4S/c1-11-23-18-17-14(22)4-3-5-15(17)30-19(18)20(27)25(11)10-16(26)24-13-8-6-12(7-9-13)21(28)29-2/h3-9H,10H2,1-2H3,(H,24,26)

InChI Key

BUBJNSXGWJJGPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11996030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.773

Distribution Coefficient, logD

3.773

Water Solubility, LogSw

-4.27

Polar Surface Area

67.203

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

F464-0510 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F464-0510 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F464-0510?
Check Price and Availability of F464-0510, 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 F464-0510 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F464-0510
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F464-0510
  • 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 F464-0510 available by request