D631-0029 Screening compound: 4-[4-(1H-1,3-benzodiazol-2-yl)piperidine-1-carbonyl]-2-(4-methoxyphenyl)quinoline

D631-0029 Screening compound: 4-[4-(1H-1,3-benzodiazol-2-yl)piperidine-1-carbonyl]-2-(4-methoxyphenyl)quinoline
D631-0029 Screening compound: 4-[4-(1H-1,3-benzodiazol-2-yl)piperidine-1-carbonyl]-2-(4-methoxyphenyl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound D631-0029
4-[4-(1H-1,3-benzodiazol-2-yl)piperidine-1-carbonyl]-2-(4-methoxyphenyl)quinoline

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

D631-0029

Molecular Formula

C29H26N4O2 (C29 H26 N4 O2)

Compound Name

4-[4-(1H-1,3-benzodiazol-2-yl)piperidine-1-carbonyl]-2-(4-methoxyphenyl)quinoline

IUPAC name

4-[4-(1H-13-benzodiazol-2-yl)piperidine-1-carbonyl]-2-(4-methoxyphenyl)quinoline

SMILES

COc(cc1)ccc1-c1nc2ccccc2c(C(N(CC2)CCC2c2nc(cccc3)c3[nH]2)=O)c1

InChI

InChI=1S/C29H26N4O2/c1-35-21-12-10-19(11-13-21)27-18-23(22-6-2-3-7-24(22)30-27)29(34)33-16-14-20(15-17-33)28-31-25-8-4-5-9-26(25)32-28/h2-13,18,20H,14-17H2,1H3,(H,31,32)

InChI Key

CSCUZUDJJDWFRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10588124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.566

Distribution Coefficient, logD

5.559

Water Solubility, LogSw

-5.77

Polar Surface Area

51.509

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

D631-0029 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D631-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D631-0029?
Check Price and Availability of D631-0029, 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 D631-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D631-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D631-0029
  • 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 D631-0029 available by request