D715-0859 Screening compound: ethyl 4-((2S)-2-{[(4,5-dimethoxy-1H-indol-2-yl)carbonyl]amino}propanoyl)tetrahydro-1(2H)-pyrazinecarboxylate

D715-0859 Screening compound: ethyl 4-((2S)-2-{[(4,5-dimethoxy-1H-indol-2-yl)carbonyl]amino}propanoyl)tetrahydro-1(2H)-pyrazinecarboxylate
D715-0859 Screening compound: ethyl 4-((2S)-2-{[(4,5-dimethoxy-1H-indol-2-yl)carbonyl]amino}propanoyl)tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D715-0859
ethyl 4-((2S)-2-{[(4,5-dimethoxy-1H-indol-2-yl)carbonyl]amino}propanoyl)tetrahydro-1(2H)-pyrazinecarboxylate

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

D715-0859

Molecular Formula

C21H28N4O6 (C21 H28 N4 O6)

Compound Name

ethyl 4-((2S)-2-{[(4,5-dimethoxy-1H-indol-2-yl)carbonyl]amino}propanoyl)tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-[(2S)-2-[(45-dimethoxy-1H-indol-2-yl)formamido]propanoyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(C(C)NC(c1cc(c(OC)c(cc2)OC)c2[nH]1)=O)=O)=O

InChI

InChI=1S/C21H28N4O6/c1-5-31-21(28)25-10-8-24(9-11-25)20(27)13(2)22-19(26)16-12-14-15(23-16)6-7-17(29-3)18(14)30-4/h6-7,12-13,23H,5,8-11H2,1-4H3,(H,22,26)/t13-/m0/s1

InChI Key

UIRHYBNOOXCYDX-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.564

Distribution Coefficient, logD

1.564

Water Solubility, LogSw

-2.31

Polar Surface Area

88.211

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

D715-0859 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D715-0859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D715-0859?
Check Price and Availability of D715-0859, 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 D715-0859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D715-0859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D715-0859
  • 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 D715-0859 available by request