E196-0065 Screening compound: 2-({3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-(4-fluorophenyl)butanamide

E196-0065 Screening compound: 2-({3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-(4-fluorophenyl)butanamide
E196-0065 Screening compound: 2-({3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-(4-fluorophenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E196-0065
2-({3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-(4-fluorophenyl)butanamide

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

E196-0065

Molecular Formula

C23H19ClFN5O2S (C23 H19 ClFN5 O2 S)

Compound Name

2-({3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-(4-fluorophenyl)butanamide

IUPAC name

2-({3-[(2-chlorophenyl)methyl]-4-oxo-34-dihydropteridin-2-yl}sulfanyl)-N-(4-fluorophenyl)butanamide

SMILES

CCC(C(Nc(cc1)ccc1F)=O)SC(N(Cc(cccc1)c1Cl)C1=O)=Nc2c1nccn2

InChI

InChI=1S/C23H19ClFN5O2S/c1-2-18(21(31)28-16-9-7-15(25)8-10-16)33-23-29-20-19(26-11-12-27-20)22(32)30(23)13-14-5-3-4-6-17(14)24/h3-12,18H,2,13H2,1H3,(H,28,31)/t18-/m0/s1

InChI Key

PAYLFARMTDKUMH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14844554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.591

Distribution Coefficient, logD

4.591

Water Solubility, LogSw

-4.52

Polar Surface Area

68.666

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

E196-0065 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E196-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E196-0065?
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What is the minimum amount of E196-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E196-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E196-0065
  • 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 E196-0065 available by request