E726-0094 Screening compound: ethyl 4-amino-2-({[(2-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)pyrimidine-5-carboxylate

E726-0094 Screening compound: ethyl 4-amino-2-({[(2-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)pyrimidine-5-carboxylate
E726-0094 Screening compound: ethyl 4-amino-2-({[(2-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E726-0094
ethyl 4-amino-2-({[(2-chloro-4-methylphenyl)carbamoyl]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

E726-0094

Molecular Formula

C16H17ClN4O3S (C16 H17 ClN4 O3 S)

Compound Name

ethyl 4-amino-2-({[(2-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)pyrimidine-5-carboxylate

IUPAC name

ethyl 4-amino-2-({[(2-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)pyrimidine-5-carboxylate

SMILES

CCOC(c(cn1)c(N)nc1SCC(Nc(ccc(C)c1)c1Cl)=O)=O

InChI

InChI=1S/C16H17ClN4O3S/c1-3-24-15(23)10-7-19-16(21-14(10)18)25-8-13(22)20-12-5-4-9(2)6-11(12)17/h4-7H,3,8H2,1-2H3,(H,20,22)(H2,18,19,21)

InChI Key

BWVKVQAGKJUAJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.994

Distribution Coefficient, logD

2.993

Water Solubility, LogSw

-3.39

Polar Surface Area

81.684

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with E726-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E726-0094?
Check Price and Availability of E726-0094, 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 E726-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E726-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E726-0094
  • 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 E726-0094 available by request