E196-0237 Screening compound: 3-isopentyl-2-[(3-methoxybenzyl)sulfanyl]-4(3H)-pteridinone

E196-0237 Screening compound: 3-isopentyl-2-[(3-methoxybenzyl)sulfanyl]-4(3H)-pteridinone
E196-0237 Screening compound: 3-isopentyl-2-[(3-methoxybenzyl)sulfanyl]-4(3H)-pteridinone alternative view

Chemical Structure Depiction of ChemDiv screening compound E196-0237
3-isopentyl-2-[(3-methoxybenzyl)sulfanyl]-4(3H)-pteridinone

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

E196-0237

Molecular Formula

C19H22N4O2S (C19 H22 N4 O2 S)

Compound Name

3-isopentyl-2-[(3-methoxybenzyl)sulfanyl]-4(3H)-pteridinone

IUPAC name

2-{[(3-methoxyphenyl)methyl]sulfanyl}-3-(3-methylbutyl)-34-dihydropteridin-4-one

SMILES

CC(C)CCN1C(SCc2cc(OC)ccc2)=Nc2nccnc2C1=O

InChI

InChI=1S/C19H22N4O2S/c1-13(2)7-10-23-18(24)16-17(21-9-8-20-16)22-19(23)26-12-14-5-4-6-15(11-14)25-3/h4-6,8-9,11,13H,7,10,12H2,1-3H3

InChI Key

BVOSPVSFCFJRNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.701

Distribution Coefficient, logD

3.701

Water Solubility, LogSw

-3.96

Polar Surface Area

53.097

Acid Dissociation Constant (pKa)

25.95

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.84

E196-0237 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E196-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E196-0237?
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What is the minimum amount of E196-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E196-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E196-0237
  • 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 E196-0237 available by request