3825-6921 Screening compound: N-(3,4-dimethylphenyl)-N-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine

3825-6921 Screening compound: N-(3,4-dimethylphenyl)-N-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine
3825-6921 Screening compound: N-(3,4-dimethylphenyl)-N-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3825-6921
N-(3,4-dimethylphenyl)-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

3825-6921

Molecular Formula

C18H19N3S (C18 H19 N3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)c(C)cc1Nc1c(c(CCCC2)c2s2)c2ncn1

InChI

InChI=1S/C18H19N3S/c1-11-7-8-13(9-12(11)2)21-17-16-14-5-3-4-6-15(14)22-18(16)20-10-19-17/h7-10H,3-6H2,1-2H3,(H,19,20,21)

InChI Key

QUFXVKIOMCRHMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00409453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.44

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.660

Distribution Coefficient, logD

5.659

Water Solubility, LogSw

-5.81

Polar Surface Area

30.626

Acid Dissociation Constant (pKa)

16.97

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3825-6921 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antifungal Library (16415 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Metabolic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3825-6921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3825-6921?
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What is the minimum amount of 3825-6921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3825-6921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3825-6921
  • 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 3825-6921 available by request