E196-0092 Screening compound: N-(4-fluorophenyl)-2-({3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)butanamide

E196-0092 Screening compound: N-(4-fluorophenyl)-2-({3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)butanamide
E196-0092 Screening compound: N-(4-fluorophenyl)-2-({3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E196-0092
N-(4-fluorophenyl)-2-({3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)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

E196-0092

Molecular Formula

C24H22FN5O3S (C24 H22 FN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(Nc(cc1)ccc1F)=O)SC(N1Cc(cc2)ccc2OC)=Nc2nccnc2C1=O

InChI

InChI=1S/C24H22FN5O3S/c1-3-19(22(31)28-17-8-6-16(25)7-9-17)34-24-29-21-20(26-12-13-27-21)23(32)30(24)14-15-4-10-18(33-2)11-5-15/h4-13,19H,3,14H2,1-2H3,(H,28,31)/t19-/m0/s1

InChI Key

CGJXXBUSBRGSTR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14844581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.090

Distribution Coefficient, logD

4.089

Water Solubility, LogSw

-4.17

Polar Surface Area

76.210

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

E196-0092 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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 E196-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E196-0092?
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What is the minimum amount of E196-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E196-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E196-0092
  • 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 E196-0092 available by request