D434-0818 Screening compound: 5-(ethylamino)-2-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1,3-oxazole-4-carbonitrile

D434-0818 Screening compound: 5-(ethylamino)-2-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1,3-oxazole-4-carbonitrile
D434-0818 Screening compound: 5-(ethylamino)-2-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D434-0818
5-(ethylamino)-2-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1,3-oxazole-4-carbonitrile

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

D434-0818

Molecular Formula

C18H22N4O3S (C18 H22 N4 O3 S)

Compound Name

5-(ethylamino)-2-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1,3-oxazole-4-carbonitrile

IUPAC name

5-(ethylamino)-2-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-13-oxazole-4-carbonitrile

SMILES

CCNc1c(C#N)nc(-c(cc2)ccc2S(N2CCC(C)CC2)(=O)=O)o1

InChI

InChI=1S/C18H22N4O3S/c1-3-20-18-16(12-19)21-17(25-18)14-4-6-15(7-5-14)26(23,24)22-10-8-13(2)9-11-22/h4-7,13,20H,3,8-11H2,1-2H3

InChI Key

HBKBTYQZGRSYGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09762391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.879

Distribution Coefficient, logD

2.879

Water Solubility, LogSw

-3.47

Polar Surface Area

77.886

Acid Dissociation Constant (pKa)

17.44

Base Dissociation Constant (pKb)

-4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

D434-0818 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

KRAS-Targeted Library (16000 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D434-0818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D434-0818?
Check Price and Availability of D434-0818, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D434-0818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D434-0818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D434-0818
  • 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 D434-0818 available by request