D715-0085 Screening compound: methyl 2-acetyl-1-(2-chlorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate

D715-0085 Screening compound: methyl 2-acetyl-1-(2-chlorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate
D715-0085 Screening compound: methyl 2-acetyl-1-(2-chlorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D715-0085
methyl 2-acetyl-1-(2-chlorophenyl)-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

D715-0085

Molecular Formula

C21H19ClN2O3 (C21 H19 ClN2 O3)

Compound Name

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

IUPAC name

methyl (3S)-2-acetyl-1-(2-chlorophenyl)-1H2H3H4H9H-pyrido[34-b]indole-3-carboxylate

SMILES

CC(N(C(Cc1c2[nH]c3c1cccc3)C(OC)=O)C2c(cccc1)c1Cl)=O

InChI

InChI=1S/C21H19ClN2O3/c1-12(25)24-18(21(26)27-2)11-15-13-7-4-6-10-17(13)23-19(15)20(24)14-8-3-5-9-16(14)22/h3-10,18,20,23H,11H2,1-2H3/t18-,20?/m0/s1

InChI Key

INLQEXNBBIYWNK-LROBGIAVSA-N

MDL Number (MFCD)

MFCD03850416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.899

Distribution Coefficient, logD

3.899

Water Solubility, LogSw

-4.14

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

23.80

D715-0085 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Antiviral Library (67538 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D715-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D715-0085?
Check Price and Availability of D715-0085, 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 D715-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D715-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D715-0085
  • 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 D715-0085 available by request