D434-0902 Screening compound: 2-{4-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}-5-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,3-oxazole-4-carbonitrile

D434-0902 Screening compound: 2-{4-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}-5-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,3-oxazole-4-carbonitrile
D434-0902 Screening compound: 2-{4-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}-5-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D434-0902
2-{4-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}-5-(1,2,3,4-tetrahydroisoquinolin-2-yl)-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

D434-0902

Molecular Formula

C25H26N4O3S (C25 H26 N4 O3 S)

Compound Name

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

IUPAC name

2-{4-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}-5-(1234-tetrahydroisoquinolin-2-yl)-13-oxazole-4-carbonitrile

SMILES

CC(CCC1)CN1S(c(cc1)ccc1-c1nc(C#N)c(N(CC2)Cc3c2cccc3)o1)(=O)=O

InChI

InChI=1S/C25H26N4O3S/c1-18-5-4-13-29(16-18)33(30,31)22-10-8-20(9-11-22)24-27-23(15-26)25(32-24)28-14-12-19-6-2-3-7-21(19)17-28/h2-3,6-11,18H,4-5,12-14,16-17H2,1H3/t18-/m0/s1

InChI Key

BPFSELSGKGCFJN-SFHVURJKSA-N

MDL Number (MFCD)

MFCD09762475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.550

Distribution Coefficient, logD

4.550

Water Solubility, LogSw

-4.29

Polar Surface Area

71.061

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

-4.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

D434-0902 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 D434-0902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D434-0902?
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What is the minimum amount of D434-0902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D434-0902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D434-0902
  • 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 D434-0902 available by request