E140-1242 Screening compound: methyl 4-[2-({6-[(3-methoxyphenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate

E140-1242 Screening compound: methyl 4-[2-({6-[(3-methoxyphenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
E140-1242 Screening compound: methyl 4-[2-({6-[(3-methoxyphenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E140-1242
methyl 4-[2-({6-[(3-methoxyphenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate

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

E140-1242

Molecular Formula

C25H26N4O5S (C25 H26 N4 O5 S)

Compound Name

methyl 4-[2-({6-[(3-methoxyphenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate

IUPAC name

methyl 4-[2-({6-[(3-methoxyphenyl)methyl]-4-oxo-3H4H5H6H7H8H-pyrido[43-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate

SMILES

COC(c(cc1)ccc1NC(CSC(N1)=NC(CCN(Cc2cc(OC)ccc2)C2)=C2C1=O)=O)=O

InChI

InChI=1S/C25H26N4O5S/c1-33-19-5-3-4-16(12-19)13-29-11-10-21-20(14-29)23(31)28-25(27-21)35-15-22(30)26-18-8-6-17(7-9-18)24(32)34-2/h3-9,12H,10-11,13-15H2,1-2H3,(H,26,30)(H,27,28,31)

InChI Key

QLXIQDAYSYVEMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27597700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.679

Distribution Coefficient, logD

2.130

Water Solubility, LogSw

-3.10

Polar Surface Area

89.813

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

6.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with E140-1242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E140-1242?
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What is the minimum amount of E140-1242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E140-1242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E140-1242
  • 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 E140-1242 available by request