E140-0549 Screening compound: N-(3-fluorophenyl)-2-({6-[(3-methoxyphenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamide

E140-0549 Screening compound: N-(3-fluorophenyl)-2-({6-[(3-methoxyphenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamide
E140-0549 Screening compound: N-(3-fluorophenyl)-2-({6-[(3-methoxyphenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E140-0549
N-(3-fluorophenyl)-2-({6-[(3-methoxyphenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamide

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

E140-0549

Molecular Formula

C23H23FN4O3S (C23 H23 FN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(CN(CC2)CC(C(N3)=O)=C2N=C3SCC(Nc2cc(F)ccc2)=O)c1

InChI

InChI=1S/C23H23FN4O3S/c1-31-18-7-2-4-15(10-18)12-28-9-8-20-19(13-28)22(30)27-23(26-20)32-14-21(29)25-17-6-3-5-16(24)11-17/h2-7,10-11H,8-9,12-14H2,1H3,(H,25,29)(H,26,27,30)

InChI Key

IQQFAZKCBKCKQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.742

Distribution Coefficient, logD

2.193

Water Solubility, LogSw

-3.18

Polar Surface Area

68.639

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

6.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E140-0549 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E140-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E140-0549?
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What is the minimum amount of E140-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E140-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E140-0549
  • 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 E140-0549 available by request