D434-0820 Screening compound: 5-(butylamino)-2-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1,3-oxazole-4-carbonitrile

D434-0820 Screening compound: 5-(butylamino)-2-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1,3-oxazole-4-carbonitrile
D434-0820 Screening compound: 5-(butylamino)-2-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D434-0820
5-(butylamino)-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

D434-0820

Molecular Formula

C20H26N4O3S (C20 H26 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCNc1c(C#N)nc(-c(cc2)ccc2S(N2CCC(C)CC2)(=O)=O)o1

InChI

InChI=1S/C20H26N4O3S/c1-3-4-11-22-20-18(14-21)23-19(27-20)16-5-7-17(8-6-16)28(25,26)24-12-9-15(2)10-13-24/h5-8,15,22H,3-4,9-13H2,1-2H3

InChI Key

BQCDNAYMHGJHBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09762393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.52

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

3.967

Distribution Coefficient, logD

3.967

Water Solubility, LogSw

-3.92

Polar Surface Area

78.102

Acid Dissociation Constant (pKa)

17.18

Base Dissociation Constant (pKb)

-4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D434-0820 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D434-0820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D434-0820?
Check Price and Availability of D434-0820, 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 D434-0820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D434-0820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D434-0820
  • 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 D434-0820 available by request