8012-2531 Screening compound: 1,3-dibenzyl-2-(3-methyl-2-thienyl)hexahydropyrimidine

8012-2531 Screening compound: 1,3-dibenzyl-2-(3-methyl-2-thienyl)hexahydropyrimidine
8012-2531 Screening compound: 1,3-dibenzyl-2-(3-methyl-2-thienyl)hexahydropyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2531
1,3-dibenzyl-2-(3-methyl-2-thienyl)hexahydropyrimidine

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

8012-2531

Molecular Formula

C23H26N2S (C23 H26 N2 S)

Compound Name

1,3-dibenzyl-2-(3-methyl-2-thienyl)hexahydropyrimidine

IUPAC name

13-dibenzyl-2-(3-methylthiophen-2-yl)-13-diazinane

SMILES

Cc1c(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)scc1

InChI

InChI=1S/C23H26N2S/c1-19-13-16-26-22(19)23-24(17-20-9-4-2-5-10-20)14-8-15-25(23)18-21-11-6-3-7-12-21/h2-7,9-13,16,23H,8,14-15,17-18H2,1H3

InChI Key

SJJFMFSPKSKAJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02944552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.54

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.156

Distribution Coefficient, logD

5.100

Water Solubility, LogSw

-5.10

Polar Surface Area

7.731

Acid Dissociation Constant (pKa)

27.10

Base Dissociation Constant (pKb)

6.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.43

References: we are preparing a list of scientific research reports with 8012-2531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2531?
Check Price and Availability of 8012-2531, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8012-2531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2531
  • 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 8012-2531 available by request