D715-0086 Screening compound: methyl 2-acetyl-1-[4-(propan-2-yl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate

D715-0086 Screening compound: methyl 2-acetyl-1-[4-(propan-2-yl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate
D715-0086 Screening compound: methyl 2-acetyl-1-[4-(propan-2-yl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D715-0086
methyl 2-acetyl-1-[4-(propan-2-yl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate

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

D715-0086

Molecular Formula

C24H26N2O3 (C24 H26 N2 O3)

Compound Name

methyl 2-acetyl-1-[4-(propan-2-yl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate

IUPAC name

methyl (3S)-2-acetyl-1-[4-(propan-2-yl)phenyl]-1H2H3H4H9H-pyrido[34-b]indole-3-carboxylate

SMILES

CC(C)c1ccc(C(c2c(CC3C(OC)=O)c(cccc4)c4[nH]2)N3C(C)=O)cc1

InChI

InChI=1S/C24H26N2O3/c1-14(2)16-9-11-17(12-10-16)23-22-19(18-7-5-6-8-20(18)25-22)13-21(24(28)29-4)26(23)15(3)27/h5-12,14,21,23,25H,13H2,1-4H3/t21-,23?/m0/s1

InChI Key

RBUVPDKGQPTHGM-BBQAJUCSSA-N

MDL Number (MFCD)

MFCD03850979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.660

Distribution Coefficient, logD

4.660

Water Solubility, LogSw

-4.45

Polar Surface Area

47.333

Acid Dissociation Constant (pKa)

17.78

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

D715-0086 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

DGK Inhibitors Library (10558 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with D715-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D715-0086?
Check Price and Availability of D715-0086, 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 D715-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D715-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D715-0086
  • 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 D715-0086 available by request