D488-0114 Screening compound: N-(2-methyl-3-{[(6-methylpyridin-2-yl)amino](pyridin-2-yl)methyl}-1H-indol-5-yl)benzamide

D488-0114 Screening compound: N-(2-methyl-3-{[(6-methylpyridin-2-yl)amino](pyridin-2-yl)methyl}-1H-indol-5-yl)benzamide
D488-0114 Screening compound: N-(2-methyl-3-{[(6-methylpyridin-2-yl)amino](pyridin-2-yl)methyl}-1H-indol-5-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D488-0114
N-(2-methyl-3-{[(6-methylpyridin-2-yl)amino](pyridin-2-yl)methyl}-1H-indol-5-yl)benzamide

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

D488-0114

Molecular Formula

C28H25N5O (C28 H25 N5 O)

Compound Name

N-(2-methyl-3-{[(6-methylpyridin-2-yl)amino](pyridin-2-yl)methyl}-1H-indol-5-yl)benzamide

IUPAC name

N-(2-methyl-3-{[(6-methylpyridin-2-yl)amino](pyridin-2-yl)methyl}-1H-indol-5-yl)benzamide

SMILES

Cc1c(C(c2ncccc2)Nc2nc(C)ccc2)c(cc(cc2)NC(c3ccccc3)=O)c2[nH]1

InChI

InChI=1S/C28H25N5O/c1-18-9-8-13-25(30-18)33-27(24-12-6-7-16-29-24)26-19(2)31-23-15-14-21(17-22(23)26)32-28(34)20-10-4-3-5-11-20/h3-17,27,31H,1-2H3,(H,30,33)(H,32,34)/t27-/m1/s1

InChI Key

GEHFKRATFUUQHB-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD27589131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.892

Distribution Coefficient, logD

4.295

Water Solubility, LogSw

-4.75

Polar Surface Area

60.608

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

7.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.70

D488-0114 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PI3K-Targeted Library (17255 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D488-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D488-0114?
Check Price and Availability of D488-0114, 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 D488-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D488-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D488-0114
  • 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 D488-0114 available by request