K263-0400 Screening compound: 2-{[3-(3,4-dimethoxyphenethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-fluorophenyl)acetamide

K263-0400 Screening compound: 2-{[3-(3,4-dimethoxyphenethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-fluorophenyl)acetamide
K263-0400 Screening compound: 2-{[3-(3,4-dimethoxyphenethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0400
2-{[3-(3,4-dimethoxyphenethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-fluorophenyl)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

K263-0400

Molecular Formula

C28H24FN3O4S2 (C28 H24 FN3 O4 S2)

Compound Name

2-{[3-(3,4-dimethoxyphenethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-fluorophenyl)acetamide

IUPAC name

2-({5-[2-(34-dimethoxyphenyl)ethyl]-6-oxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-4-yl}sulfanyl)-N-(4-fluorophenyl)acetamide

SMILES

COc(ccc(CCN(C1=O)C(SCC(Nc(cc2)ccc2F)=O)=Nc2c1sc1c2cccc1)c1)c1OC

InChI

InChI=1S/C28H24FN3O4S2/c1-35-21-12-7-17(15-22(21)36-2)13-14-32-27(34)26-25(20-5-3-4-6-23(20)38-26)31-28(32)37-16-24(33)30-19-10-8-18(29)9-11-19/h3-12,15H,13-14,16H2,1-2H3,(H,30,33)

InChI Key

OXICBRFPOABFMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.183

Distribution Coefficient, logD

5.183

Water Solubility, LogSw

-5.28

Polar Surface Area

62.654

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with K263-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0400?
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What is the minimum amount of K263-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0400
  • 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 K263-0400 available by request