D007-0337 Screening compound: 3-[2-(4-benzylpiperazin-1-yl)ethyl]-7,8-dimethoxy-3H,4H,5H-pyrimido[5,4-b]indol-4-one

D007-0337 Screening compound: 3-[2-(4-benzylpiperazin-1-yl)ethyl]-7,8-dimethoxy-3H,4H,5H-pyrimido[5,4-b]indol-4-one
D007-0337 Screening compound: 3-[2-(4-benzylpiperazin-1-yl)ethyl]-7,8-dimethoxy-3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D007-0337
3-[2-(4-benzylpiperazin-1-yl)ethyl]-7,8-dimethoxy-3H,4H,5H-pyrimido[5,4-b]indol-4-one

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

D007-0337

Molecular Formula

C25H29N5O3 (C25 H29 N5 O3)

Compound Name

3-[2-(4-benzylpiperazin-1-yl)ethyl]-7,8-dimethoxy-3H,4H,5H-pyrimido[5,4-b]indol-4-one

IUPAC name

3-[2-(4-benzylpiperazin-1-yl)ethyl]-78-dimethoxy-3H4H5H-pyrimido[54-b]indol-4-one

SMILES

COc(c(OC)c1)cc2c1[nH]c1c2N=CN(CCN2CCN(Cc3ccccc3)CC2)C1=O

InChI

InChI=1S/C25H29N5O3/c1-32-21-14-19-20(15-22(21)33-2)27-24-23(19)26-17-30(25(24)31)13-12-28-8-10-29(11-9-28)16-18-6-4-3-5-7-18/h3-7,14-15,17,27H,8-13,16H2,1-2H3

InChI Key

FBBFKFBNSQUNNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.623

Distribution Coefficient, logD

1.485

Water Solubility, LogSw

-2.19

Polar Surface Area

57.059

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

D007-0337 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D007-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D007-0337?
Check Price and Availability of D007-0337, 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 D007-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D007-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D007-0337
  • 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 D007-0337 available by request