K263-0730 Screening compound: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(3,3-diethoxypropyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one

K263-0730 Screening compound: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(3,3-diethoxypropyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
K263-0730 Screening compound: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(3,3-diethoxypropyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0730
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(3,3-diethoxypropyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one

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

K263-0730

Molecular Formula

C25H25BrN2O4S2 (C25 H25 BrN2 O4 S2)

Compound Name

2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(3,3-diethoxypropyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one

IUPAC name

4-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-(33-diethoxypropyl)-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one

SMILES

CCOC(CCN(C1=O)C(SCC(c(cc2)ccc2Br)=O)=Nc2c1sc1c2cccc1)OCC

InChI

InChI=1S/C25H25BrN2O4S2/c1-3-31-21(32-4-2)13-14-28-24(30)23-22(18-7-5-6-8-20(18)34-23)27-25(28)33-15-19(29)16-9-11-17(26)12-10-16/h5-12,21H,3-4,13-15H2,1-2H3

InChI Key

IEVXXBDQBMUUMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

561.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.496

Distribution Coefficient, logD

5.496

Water Solubility, LogSw

-5.66

Polar Surface Area

52.417

Acid Dissociation Constant (pKa)

26.88

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with K263-0730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0730?
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What is the minimum amount of K263-0730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0730
  • 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 K263-0730 available by request