D718-0441 Screening compound: 5-bromo-2'-propanoyl-1,2,2',3',4',9'-hexahydrospiro[indole-3,1'-pyrido[3,4-b]indol]-2-one

D718-0441 Screening compound: 5-bromo-2'-propanoyl-1,2,2',3',4',9'-hexahydrospiro[indole-3,1'-pyrido[3,4-b]indol]-2-one
D718-0441 Screening compound: 5-bromo-2'-propanoyl-1,2,2',3',4',9'-hexahydrospiro[indole-3,1'-pyrido[3,4-b]indol]-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-0441
5-bromo-2'-propanoyl-1,2,2',3',4',9'-hexahydrospiro[indole-3,1'-pyrido[3,4-b]indol]-2-one

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

D718-0441

Molecular Formula

C21H18BrN3O2 (C21 H18 BrN3 O2)

Compound Name

5-bromo-2'-propanoyl-1,2,2',3',4',9'-hexahydrospiro[indole-3,1'-pyrido[3,4-b]indol]-2-one

IUPAC name

n/a

SMILES

CCC(N(CCc1c2[nH]c3c1cccc3)C2(c(cc(cc1)Br)c1N1)C1=O)=O

InChI

InChI=1S/C21H18BrN3O2/c1-2-18(26)25-10-9-14-13-5-3-4-6-16(13)23-19(14)21(25)15-11-12(22)7-8-17(15)24-20(21)27/h3-8,11,23H,2,9-10H2,1H3,(H,24,27)/t21-/m0/s1

InChI Key

RBRUJJOEAQZESM-NRFANRHFSA-N

MDL Number (MFCD)

MFCD08283504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.105

Distribution Coefficient, logD

4.093

Water Solubility, LogSw

-4.12

Polar Surface Area

50.493

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

D718-0441 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D718-0441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-0441?
Check Price and Availability of D718-0441, 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 D718-0441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-0441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-0441
  • 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 D718-0441 available by request