K263-0389 Screening compound: 2-{[3-(3,4-dimethoxyphenethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(tetrahydro-2-furanylmethyl)acetamide

K263-0389 Screening compound: 2-{[3-(3,4-dimethoxyphenethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(tetrahydro-2-furanylmethyl)acetamide
K263-0389 Screening compound: 2-{[3-(3,4-dimethoxyphenethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(tetrahydro-2-furanylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0389
2-{[3-(3,4-dimethoxyphenethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(tetrahydro-2-furanylmethyl)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

K263-0389

Molecular Formula

C27H29N3O5S2 (C27 H29 N3 O5 S2)

Compound Name

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

SMILES

COc(ccc(CCN(C1=O)C(SCC(NCC2OCCC2)=O)=Nc2c1sc1c2cccc1)c1)c1OC

InChI

InChI=1S/C27H29N3O5S2/c1-33-20-10-9-17(14-21(20)34-2)11-12-30-26(32)25-24(19-7-3-4-8-22(19)37-25)29-27(30)36-16-23(31)28-15-18-6-5-13-35-18/h3-4,7-10,14,18H,5-6,11-13,15-16H2,1-2H3,(H,28,31)/t18-/m1/s1

InChI Key

CTCIYIXQRJERIO-GOSISDBHSA-N

MDL Number (MFCD)

MFCD15085435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.291

Distribution Coefficient, logD

3.291

Water Solubility, LogSw

-3.58

Polar Surface Area

72.631

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

K263-0389 in Drug Discovery

Included in Screening Libraries

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 K263-0389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0389?
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What is the minimum amount of K263-0389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0389
  • 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 K263-0389 available by request