K263-0708 Screening compound: N~1~-(3-methoxyphenyl)-2-{[4-oxo-3-(tetrahydro-2-furanylmethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}butanamide

K263-0708 Screening compound: N~1~-(3-methoxyphenyl)-2-{[4-oxo-3-(tetrahydro-2-furanylmethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}butanamide
K263-0708 Screening compound: N~1~-(3-methoxyphenyl)-2-{[4-oxo-3-(tetrahydro-2-furanylmethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0708
N~1~-(3-methoxyphenyl)-2-{[4-oxo-3-(tetrahydro-2-furanylmethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}butanamide

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

K263-0708

Molecular Formula

C26H27N3O4S2 (C26 H27 N3 O4 S2)

Compound Name

N~1~-(3-methoxyphenyl)-2-{[4-oxo-3-(tetrahydro-2-furanylmethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}butanamide

IUPAC name

N-(3-methoxyphenyl)-2-({6-oxo-5-[(oxolan-2-yl)methyl]-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-4-yl}sulfanyl)butanamide

SMILES

CCC(C(Nc1cc(OC)ccc1)=O)SC(N(CC1OCCC1)C1=O)=Nc2c1sc1c2cccc1

InChI

InChI=1S/C26H27N3O4S2/c1-3-20(24(30)27-16-8-6-9-17(14-16)32-2)35-26-28-22-19-11-4-5-12-21(19)34-23(22)25(31)29(26)15-18-10-7-13-33-18/h4-6,8-9,11-12,14,18,20H,3,7,10,13,15H2,1-2H3,(H,27,30)

InChI Key

PCHQCGOMMFCYJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.65

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

5.058

Distribution Coefficient, logD

5.058

Water Solubility, LogSw

-4.88

Polar Surface Area

63.827

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.60

K263-0708 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K263-0708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0708?
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What is the minimum amount of K263-0708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0708
  • 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 K263-0708 available by request