8015-3662 Screening compound: 1-(4-hydroxy-4-methyl-2-thioxohexahydro-5-pyrimidinyl)-1-ethanone

8015-3662 Screening compound: 1-(4-hydroxy-4-methyl-2-thioxohexahydro-5-pyrimidinyl)-1-ethanone
8015-3662 Screening compound: 1-(4-hydroxy-4-methyl-2-thioxohexahydro-5-pyrimidinyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3662
1-(4-hydroxy-4-methyl-2-thioxohexahydro-5-pyrimidinyl)-1-ethanone

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

8015-3662

Molecular Formula

C7H12N2O2S (C7 H12 N2 O2 S)

Compound Name

1-(4-hydroxy-4-methyl-2-thioxohexahydro-5-pyrimidinyl)-1-ethanone

IUPAC name

1-(4-hydroxy-4-methyl-2-sulfanylidene-13-diazinan-5-yl)ethan-1-one

SMILES

CC(C(CN1)C(C)=O)(NC1=S)O

InChI

InChI=1S/C7H12N2O2S/c1-4(10)5-3-8-6(12)9-7(5,2)11/h5,11H,3H2,1-2H3,(H2,8,9,12)

InChI Key

UTESIUDPKAPEEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04060995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

188.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.230

Distribution Coefficient, logD

-0.230

Water Solubility, LogSw

-1.66

Polar Surface Area

53.403

Acid Dissociation Constant (pKa)

15.38

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

71.43

References: we are preparing a list of scientific research reports with 8015-3662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3662?
Check Price and Availability of 8015-3662, 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 8015-3662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3662
  • 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 8015-3662 available by request