D488-0055 Screening compound: N-(3-{[(2-methoxyphenyl)amino](pyridin-2-yl)methyl}-2-methyl-1H-indol-5-yl)furan-2-carboxamide

D488-0055 Screening compound: N-(3-{[(2-methoxyphenyl)amino](pyridin-2-yl)methyl}-2-methyl-1H-indol-5-yl)furan-2-carboxamide
D488-0055 Screening compound: N-(3-{[(2-methoxyphenyl)amino](pyridin-2-yl)methyl}-2-methyl-1H-indol-5-yl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D488-0055
N-(3-{[(2-methoxyphenyl)amino](pyridin-2-yl)methyl}-2-methyl-1H-indol-5-yl)furan-2-carboxamide

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

D488-0055

Molecular Formula

C27H24N4O3 (C27 H24 N4 O3)

Compound Name

N-(3-{[(2-methoxyphenyl)amino](pyridin-2-yl)methyl}-2-methyl-1H-indol-5-yl)furan-2-carboxamide

IUPAC name

N-(3-{[(2-methoxyphenyl)amino](pyridin-2-yl)methyl}-2-methyl-1H-indol-5-yl)furan-2-carboxamide

SMILES

Cc1c(C(c2ncccc2)Nc(cccc2)c2OC)c(cc(cc2)NC(c3ccco3)=O)c2[nH]1

InChI

InChI=1S/C27H24N4O3/c1-17-25(19-16-18(12-13-20(19)29-17)30-27(32)24-11-7-15-34-24)26(22-9-5-6-14-28-22)31-21-8-3-4-10-23(21)33-2/h3-16,26,29,31H,1-2H3,(H,30,32)/t26-/m1/s1

InChI Key

VKRZZEIXLNBCKC-AREMUKBSSA-N

MDL Number (MFCD)

MFCD14832237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.427

Distribution Coefficient, logD

4.426

Water Solubility, LogSw

-4.44

Polar Surface Area

67.130

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

D488-0055 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D488-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D488-0055?
Check Price and Availability of D488-0055, 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 D488-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D488-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D488-0055
  • 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 D488-0055 available by request