3825-6930 Screening compound: N-[4-(4-chlorophenoxy)phenyl]-N-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine

3825-6930 Screening compound: N-[4-(4-chlorophenoxy)phenyl]-N-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine
3825-6930 Screening compound: N-[4-(4-chlorophenoxy)phenyl]-N-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3825-6930
N-[4-(4-chlorophenoxy)phenyl]-N-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)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

3825-6930

Molecular Formula

C22H18ClN3OS (C22 H18 ClN3 OS)

Compound Name

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

IUPAC name

N-[4-(4-chlorophenoxy)phenyl]-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-amine

SMILES

Clc(cc1)ccc1Oc(cc1)ccc1Nc1ncnc2c1c(CCCC1)c1s2

InChI

InChI=1S/C22H18ClN3OS/c23-14-5-9-16(10-6-14)27-17-11-7-15(8-12-17)26-21-20-18-3-1-2-4-19(18)28-22(20)25-13-24-21/h5-13H,1-4H2,(H,24,25,26)

InChI Key

TYTADVRKNCZWME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02644245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.92

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.986

Distribution Coefficient, logD

6.985

Water Solubility, LogSw

-6.86

Polar Surface Area

37.374

Acid Dissociation Constant (pKa)

16.77

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3825-6930 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 3825-6930 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3825-6930?
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What is the minimum amount of 3825-6930 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3825-6930
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3825-6930
  • 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 3825-6930 available by request