K841-0224 Screening compound: N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N-(2,2-diethoxyethyl)amine

K841-0224 Screening compound: N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N-(2,2-diethoxyethyl)amine
K841-0224 Screening compound: N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N-(2,2-diethoxyethyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K841-0224
N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N-(2,2-diethoxyethyl)amine

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

K841-0224

Molecular Formula

C23H29N3O2S (C23 H29 N3 O2 S)

Compound Name

N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N-(2,2-diethoxyethyl)amine

IUPAC name

5-benzyl-N-(22-diethoxyethyl)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-amine

SMILES

CCOC(CNc1c(c(CCCC2)c2s2)c2nc(Cc2ccccc2)n1)OCC

InChI

InChI=1S/C23H29N3O2S/c1-3-27-20(28-4-2)15-24-22-21-17-12-8-9-13-18(17)29-23(21)26-19(25-22)14-16-10-6-5-7-11-16/h5-7,10-11,20H,3-4,8-9,12-15H2,1-2H3,(H,24,25,26)

InChI Key

WNJIABNMQBSFTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15110573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.306

Distribution Coefficient, logD

5.278

Water Solubility, LogSw

-5.44

Polar Surface Area

46.354

Acid Dissociation Constant (pKa)

16.06

Base Dissociation Constant (pKb)

6.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

K841-0224 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K841-0224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K841-0224?
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What is the minimum amount of K841-0224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K841-0224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K841-0224
  • 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 K841-0224 available by request