K810-0027 Screening compound: N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N-(3,4-dimethoxyphenyl)amine

K810-0027 Screening compound: N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N-(3,4-dimethoxyphenyl)amine
K810-0027 Screening compound: N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N-(3,4-dimethoxyphenyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K810-0027
N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N-(3,4-dimethoxyphenyl)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

K810-0027

Molecular Formula

C25H25N3O2S (C25 H25 N3 O2 S)

Compound Name

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

IUPAC name

5-benzyl-N-(34-dimethoxyphenyl)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-amine

SMILES

COc(ccc(Nc1c(c(CCCC2)c2s2)c2nc(Cc2ccccc2)n1)c1)c1OC

InChI

InChI=1S/C25H25N3O2S/c1-29-19-13-12-17(15-20(19)30-2)26-24-23-18-10-6-7-11-21(18)31-25(23)28-22(27-24)14-16-8-4-3-5-9-16/h3-5,8-9,12-13,15H,6-7,10-11,14H2,1-2H3,(H,26,27,28)

InChI Key

AQGGUCYOPDUJFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15109482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.099

Distribution Coefficient, logD

6.094

Water Solubility, LogSw

-5.82

Polar Surface Area

45.367

Acid Dissociation Constant (pKa)

15.64

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with K810-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K810-0027?
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What is the minimum amount of K810-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K810-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K810-0027
  • 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 K810-0027 available by request