4386-3945 Screening compound: METHYL 2-[(5-BROMO-4-HYDROXY-6-METHYLPYRIMIDIN-2-YL)SULFANYL]ACETATE

4386-3945 Screening compound: METHYL 2-[(5-BROMO-4-HYDROXY-6-METHYLPYRIMIDIN-2-YL)SULFANYL]ACETATE
4386-3945 Screening compound: METHYL 2-[(5-BROMO-4-HYDROXY-6-METHYLPYRIMIDIN-2-YL)SULFANYL]ACETATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4386-3945
METHYL 2-[(5-BROMO-4-HYDROXY-6-METHYLPYRIMIDIN-2-YL)SULFANYL]ACETATE

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

4386-3945

Molecular Formula

C8H9BrN2O3S (C8 H9 BrN2 O3 S)

Compound Name

METHYL 2-[(5-BROMO-4-HYDROXY-6-METHYLPYRIMIDIN-2-YL)SULFANYL]ACETATE

IUPAC name

n/a

SMILES

Cc1nc(SCC(OC)=O)nc(O)c1Br

InChI

InChI=1S/C8H9BrN2O3S/c1-4-6(9)7(13)11-8(10-4)15-3-5(12)14-2/h3H2,1-2H3,(H,10,11,13)

InChI Key

VSHIUJBPTYIVEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01558685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.14

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.365

Distribution Coefficient, logD

0.433

Water Solubility, LogSw

-1.36

Polar Surface Area

55.648

Acid Dissociation Constant (pKa)

6.52

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

4386-3945 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4386-3945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4386-3945?
Check Price and Availability of 4386-3945, 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 4386-3945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4386-3945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4386-3945
  • 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 4386-3945 available by request