5594-3128 Screening compound: N-(3-chlorophenyl)-N'-[4-hydroxy-6-(methoxymethyl)pyrimidin-2-yl]guanidine

5594-3128 Screening compound: N-(3-chlorophenyl)-N'-[4-hydroxy-6-(methoxymethyl)pyrimidin-2-yl]guanidine
5594-3128 Screening compound: N-(3-chlorophenyl)-N'-[4-hydroxy-6-(methoxymethyl)pyrimidin-2-yl]guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5594-3128
N-(3-chlorophenyl)-N'-[4-hydroxy-6-(methoxymethyl)pyrimidin-2-yl]guanidine

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

5594-3128

Molecular Formula

C13H14ClN5O2 (C13 H14 ClN5 O2)

Compound Name

N-(3-chlorophenyl)-N'-[4-hydroxy-6-(methoxymethyl)pyrimidin-2-yl]guanidine

IUPAC name

N-(3-chlorophenyl)-N'-[4-hydroxy-6-(methoxymethyl)pyrimidin-2-yl]guanidine

SMILES

COCc1nc(NC(Nc2cccc(Cl)c2)=N)nc(O)c1

InChI

InChI=1S/C13H14ClN5O2/c1-21-7-10-6-11(20)18-13(17-10)19-12(15)16-9-4-2-3-8(14)5-9/h2-6H,7H2,1H3,(H4,15,16,17,18,19,20)

InChI Key

JVFOYKQPDDBBMW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.74

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.845

Distribution Coefficient, logD

2.845

Water Solubility, LogSw

-3.26

Polar Surface Area

82.729

Acid Dissociation Constant (pKa)

6.75

Base Dissociation Constant (pKb)

11.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 5594-3128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5594-3128?
Check Price and Availability of 5594-3128, 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 5594-3128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5594-3128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5594-3128
  • 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 5594-3128 available by request