8012-2200 Screening compound: 2-amino-5-ethyl-6-methylpyrimidine-4-thiol

8012-2200 Screening compound: 2-amino-5-ethyl-6-methylpyrimidine-4-thiol
8012-2200 Screening compound: 2-amino-5-ethyl-6-methylpyrimidine-4-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2200
2-amino-5-ethyl-6-methylpyrimidine-4-thiol

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

8012-2200

Molecular Formula

C7H11N3S (C7 H11 N3 S)

Compound Name

2-amino-5-ethyl-6-methylpyrimidine-4-thiol

IUPAC name

2-amino-5-ethyl-6-methylpyrimidine-4-thiol

SMILES

CCc1c(C)nc(N)nc1S

InChI

InChI=1S/C7H11N3S/c1-3-5-4(2)9-7(8)10-6(5)11/h3H2,1-2H3,(H3,8,9,10,11)

InChI Key

PVNRXCCWLJJGFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03035759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

169.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.377

Distribution Coefficient, logD

1.103

Water Solubility, LogSw

-0.76

Polar Surface Area

39.422

Acid Dissociation Constant (pKa)

7.46

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

8012-2200 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8012-2200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2200?
Check Price and Availability of 8012-2200, 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 8012-2200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2200
  • 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 8012-2200 available by request