C494-0094 Screening compound: methyl 3-amino-2-({[(2-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

C494-0094 Screening compound: methyl 3-amino-2-({[(2-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
C494-0094 Screening compound: methyl 3-amino-2-({[(2-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C494-0094
methyl 3-amino-2-({[(2-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-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

C494-0094

Molecular Formula

C19H20N4O5S2 (C19 H20 N4 O5 S2)

Compound Name

methyl 3-amino-2-({[(2-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

IUPAC name

methyl 3-amino-2-({[(2-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxylate

SMILES

CCOc(cccc1)c1NC(CSC(N1N)=Nc(sc(C(OC)=O)c2C)c2C1=O)=O

InChI

InChI=1S/C19H20N4O5S2/c1-4-28-12-8-6-5-7-11(12)21-13(24)9-29-19-22-16-14(17(25)23(19)20)10(2)15(30-16)18(26)27-3/h5-8H,4,9,20H2,1-3H3,(H,21,24)

InChI Key

ADHWRQOAJBSNNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.231

Distribution Coefficient, logD

2.231

Water Solubility, LogSw

-2.64

Polar Surface Area

93.286

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with C494-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C494-0094?
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What is the minimum amount of C494-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C494-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C494-0094
  • 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 C494-0094 available by request