8017-1967 Screening compound: 2-({2-[4-(1-adamantyl)piperazino]-2-oxoethyl}sulfanyl)-6-methyl-4(3H)-pyrimidinone

8017-1967 Screening compound: 2-({2-[4-(1-adamantyl)piperazino]-2-oxoethyl}sulfanyl)-6-methyl-4(3H)-pyrimidinone
8017-1967 Screening compound: 2-({2-[4-(1-adamantyl)piperazino]-2-oxoethyl}sulfanyl)-6-methyl-4(3H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1967
2-({2-[4-(1-adamantyl)piperazino]-2-oxoethyl}sulfanyl)-6-methyl-4(3H)-pyrimidinone

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

8017-1967

Molecular Formula

C21H30N4O2S (C21 H30 N4 O2 S)

Compound Name

2-({2-[4-(1-adamantyl)piperazino]-2-oxoethyl}sulfanyl)-6-methyl-4(3H)-pyrimidinone

IUPAC name

2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-methyl-34-dihydropyrimidin-4-one

SMILES

CC(N=C(N1)SCC(N(CC2)CCN2C2(CC(C3)C4)CC4CC3C2)=O)=CC1=O

InChI

InChI=1S/C21H30N4O2S/c1-14-6-18(26)23-20(22-14)28-13-19(27)24-2-4-25(5-3-24)21-10-15-7-16(11-21)9-17(8-15)12-21/h6,15-17H,2-5,7-13H2,1H3,(H,22,23,26)

InChI Key

RMHSRQZDQRDHNA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.558

Distribution Coefficient, logD

1.836

Water Solubility, LogSw

-2.69

Polar Surface Area

53.645

Acid Dissociation Constant (pKa)

6.77

Base Dissociation Constant (pKb)

6.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

76.19

References: we are preparing a list of scientific research reports with 8017-1967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1967?
Check Price and Availability of 8017-1967, 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 8017-1967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1967
  • 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 8017-1967 available by request