E679-0633 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-4-(4-nitrophenyl)piperazine

E679-0633 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-4-(4-nitrophenyl)piperazine
E679-0633 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-4-(4-nitrophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E679-0633
1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-4-(4-nitrophenyl)piperazine

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

E679-0633

Molecular Formula

C20H23N7O2 (C20 H23 N7 O2)

Compound Name

1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-4-(4-nitrophenyl)piperazine

IUPAC name

1-{6H7H8H9H10H-azepino[21-h]purin-4-yl}-4-(4-nitrophenyl)piperazine

SMILES

[O-][N+](c(cc1)ccc1N(CC1)CCN1c1ncnc2c1nc1n2CCCCC1)=O

InChI

InChI=1S/C20H23N7O2/c28-27(29)16-7-5-15(6-8-16)24-10-12-25(13-11-24)19-18-20(22-14-21-19)26-9-3-1-2-4-17(26)23-18/h5-8,14H,1-4,9-13H2

InChI Key

VVWNESSXLBWSKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14909534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.617

Distribution Coefficient, logD

3.611

Water Solubility, LogSw

-3.63

Polar Surface Area

73.237

Acid Dissociation Constant (pKa)

18.78

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

E679-0633 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E679-0633 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E679-0633?
Check Price and Availability of E679-0633, 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 E679-0633 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E679-0633
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E679-0633
  • 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 E679-0633 available by request