D434-0864 Screening compound: 5-{[(4-methoxyphenyl)methyl]amino}-2-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1,3-oxazole-4-carbonitrile

D434-0864 Screening compound: 5-{[(4-methoxyphenyl)methyl]amino}-2-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1,3-oxazole-4-carbonitrile
D434-0864 Screening compound: 5-{[(4-methoxyphenyl)methyl]amino}-2-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D434-0864
5-{[(4-methoxyphenyl)methyl]amino}-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

D434-0864

Molecular Formula

C24H26N4O4S (C24 H26 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1S(c(cc1)ccc1-c1nc(C#N)c(NCc(cc2)ccc2OC)o1)(=O)=O

InChI

InChI=1S/C24H26N4O4S/c1-17-11-13-28(14-12-17)33(29,30)21-9-5-19(6-10-21)23-27-22(15-25)24(32-23)26-16-18-3-7-20(31-2)8-4-18/h3-10,17,26H,11-14,16H2,1-2H3

InChI Key

CANMXMGSDRQXDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09762437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.906

Distribution Coefficient, logD

3.906

Water Solubility, LogSw

-4.04

Polar Surface Area

85.532

Acid Dissociation Constant (pKa)

16.33

Base Dissociation Constant (pKb)

-4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D434-0864 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with D434-0864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D434-0864?
Check Price and Availability of D434-0864, 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 D434-0864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D434-0864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D434-0864
  • 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 D434-0864 available by request