5645-0116 Screening compound: [(4,6-dimethylpyrimidin-2-yl)carbamoyl]methyl morpholine-4-carbodithioate

5645-0116 Screening compound: [(4,6-dimethylpyrimidin-2-yl)carbamoyl]methyl morpholine-4-carbodithioate
5645-0116 Screening compound: [(4,6-dimethylpyrimidin-2-yl)carbamoyl]methyl morpholine-4-carbodithioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5645-0116
[(4,6-dimethylpyrimidin-2-yl)carbamoyl]methyl morpholine-4-carbodithioate

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

5645-0116

Molecular Formula

C13H18N4O2S2 (C13 H18 N4 O2 S2)

Compound Name

[(4,6-dimethylpyrimidin-2-yl)carbamoyl]methyl morpholine-4-carbodithioate

IUPAC name

[(46-dimethylpyrimidin-2-yl)carbamoyl]methyl morpholine-4-carbodithioate

SMILES

Cc1nc(NC(CSC(N2CCOCC2)=S)=O)nc(C)c1

InChI

InChI=1S/C13H18N4O2S2/c1-9-7-10(2)15-12(14-9)16-11(18)8-21-13(20)17-3-5-19-6-4-17/h7H,3-6,8H2,1-2H3,(H,14,15,16,18)

InChI Key

GUJOVYLFZDYKDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03488095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.110

Distribution Coefficient, logD

1.110

Water Solubility, LogSw

-2.33

Polar Surface Area

53.435

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

References: we are preparing a list of scientific research reports with 5645-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5645-0116?
Check Price and Availability of 5645-0116, 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 5645-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5645-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5645-0116
  • 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 5645-0116 available by request