E715-0539 Screening compound: N-{2-[sec-butyl(2-furylmethyl)amino]ethyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)-4-piperidinecarboxamide

E715-0539 Screening compound: N-{2-[sec-butyl(2-furylmethyl)amino]ethyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)-4-piperidinecarboxamide
E715-0539 Screening compound: N-{2-[sec-butyl(2-furylmethyl)amino]ethyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E715-0539
N-{2-[sec-butyl(2-furylmethyl)amino]ethyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)-4-piperidinecarboxamide

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

E715-0539

Molecular Formula

C27H39N7O2 (C27 H39 N7 O2)

Compound Name

N-{2-[sec-butyl(2-furylmethyl)amino]ethyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)-4-piperidinecarboxamide

IUPAC name

1-{6H7H8H9H10H-azepino[21-h]purin-4-yl}-N-{2-[(butan-2-yl)[(furan-2-yl)methyl]amino]ethyl}piperidine-4-carboxamide

SMILES

CCC(C)N(CCNC(C(CC1)CCN1c1ncnc2c1nc1n2CCCCC1)=O)Cc1ccco1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.566

Distribution Coefficient, logD

2.823

Water Solubility, LogSw

-3.36

Polar Surface Area

71.781

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

8.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.96

E715-0539 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E715-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E715-0539?
Check Price and Availability of E715-0539, 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 E715-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E715-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E715-0539
  • 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 E715-0539 available by request