F758-0088 Screening compound: (4-benzylpiperidino)(1-pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-yl-3-piperidyl)methanone

F758-0088 Screening compound: (4-benzylpiperidino)(1-pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-yl-3-piperidyl)methanone
F758-0088 Screening compound: (4-benzylpiperidino)(1-pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-yl-3-piperidyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F758-0088
(4-benzylpiperidino)(1-pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-yl-3-piperidyl)methanone

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

F758-0088

Molecular Formula

C28H31N5O (C28 H31 N5 O)

Compound Name

(4-benzylpiperidino)(1-pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-yl-3-piperidyl)methanone

IUPAC name

7-[3-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-2810-triazatricyclo[7.4.0.0^{26}]trideca-1(13)357911-hexaene

SMILES

O=C(C(CCC1)CN1c1nc2ncccc2n2c1ccc2)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C28H31N5O/c34-28(31-17-12-22(13-18-31)19-21-7-2-1-3-8-21)23-9-5-15-32(20-23)27-25-11-6-16-33(25)24-10-4-14-29-26(24)30-27/h1-4,6-8,10-11,14,16,22-23H,5,9,12-13,15,17-20H2/t23-/m0/s1

InChI Key

OVARDKWXYYPLMT-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14965930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.821

Distribution Coefficient, logD

4.813

Water Solubility, LogSw

-4.89

Polar Surface Area

37.842

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

F758-0088 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F758-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F758-0088?
Check Price and Availability of F758-0088, 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 F758-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F758-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F758-0088
  • 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 F758-0088 available by request