6359-0027 Screening compound: ethyl 4-amino-2-{[(3-chlorophenyl)methyl]sulfanyl}pyrimidine-5-carboxylate

6359-0027 Screening compound: ethyl 4-amino-2-{[(3-chlorophenyl)methyl]sulfanyl}pyrimidine-5-carboxylate
6359-0027 Screening compound: ethyl 4-amino-2-{[(3-chlorophenyl)methyl]sulfanyl}pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6359-0027
ethyl 4-amino-2-{[(3-chlorophenyl)methyl]sulfanyl}pyrimidine-5-carboxylate

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

6359-0027

Molecular Formula

C14H14ClN3O2S (C14 H14 ClN3 O2 S)

Compound Name

ethyl 4-amino-2-{[(3-chlorophenyl)methyl]sulfanyl}pyrimidine-5-carboxylate

IUPAC name

ethyl 4-amino-2-{[(3-chlorophenyl)methyl]sulfanyl}pyrimidine-5-carboxylate

SMILES

CCOC(c(cn1)c(N)nc1SCc1cccc(Cl)c1)=O

InChI

InChI=1S/C14H14ClN3O2S/c1-2-20-13(19)11-7-17-14(18-12(11)16)21-8-9-4-3-5-10(15)6-9/h3-7H,2,8H2,1H3,(H2,16,17,18)

InChI Key

KEWPJNXOBFLTDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03856077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.527

Distribution Coefficient, logD

3.527

Water Solubility, LogSw

-3.78

Polar Surface Area

59.232

Acid Dissociation Constant (pKa)

15.13

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 6359-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6359-0027?
Check Price and Availability of 6359-0027, 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 6359-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6359-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6359-0027
  • 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 6359-0027 available by request