K263-0339 Screening compound: 2-{[9-fluoro-3-(4-methoxybenzyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(2-furylmethyl)acetamide

K263-0339 Screening compound: 2-{[9-fluoro-3-(4-methoxybenzyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(2-furylmethyl)acetamide
K263-0339 Screening compound: 2-{[9-fluoro-3-(4-methoxybenzyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(2-furylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0339
2-{[9-fluoro-3-(4-methoxybenzyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(2-furylmethyl)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

K263-0339

Molecular Formula

C25H20FN3O4S2 (C25 H20 FN3 O4 S2)

Compound Name

2-{[9-fluoro-3-(4-methoxybenzyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(2-furylmethyl)acetamide

IUPAC name

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

SMILES

COc1ccc(CN(C2=O)C(SCC(NCc3ccco3)=O)=Nc3c2sc2c3c(F)ccc2)cc1

InChI

InChI=1S/C25H20FN3O4S2/c1-32-16-9-7-15(8-10-16)13-29-24(31)23-22(21-18(26)5-2-6-19(21)35-23)28-25(29)34-14-20(30)27-12-17-4-3-11-33-17/h2-11H,12-14H2,1H3,(H,27,30)

InChI Key

ZGDMZDVLMZGJCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.103

Distribution Coefficient, logD

5.103

Water Solubility, LogSw

-5.00

Polar Surface Area

64.030

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with K263-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0339?
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What is the minimum amount of K263-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0339
  • 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 K263-0339 available by request