D007-0210 Screening compound: 3-{3-[benzyl(butyl)amino]propyl}-7-methoxy-3H,4H,5H-pyrimido[5,4-b]indol-4-one

D007-0210 Screening compound: 3-{3-[benzyl(butyl)amino]propyl}-7-methoxy-3H,4H,5H-pyrimido[5,4-b]indol-4-one
D007-0210 Screening compound: 3-{3-[benzyl(butyl)amino]propyl}-7-methoxy-3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D007-0210
3-{3-[benzyl(butyl)amino]propyl}-7-methoxy-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

D007-0210

Molecular Formula

C25H30N4O2 (C25 H30 N4 O2)

Compound Name

3-{3-[benzyl(butyl)amino]propyl}-7-methoxy-3H,4H,5H-pyrimido[5,4-b]indol-4-one

IUPAC name

3-{3-[benzyl(butyl)amino]propyl}-7-methoxy-3H4H5H-pyrimido[54-b]indol-4-one

SMILES

CCCCN(CCCN(C=Nc1c2[nH]c3c1ccc(OC)c3)C2=O)Cc1ccccc1

InChI

InChI=1S/C25H30N4O2/c1-3-4-13-28(17-19-9-6-5-7-10-19)14-8-15-29-18-26-23-21-12-11-20(31-2)16-22(21)27-24(23)25(29)30/h5-7,9-12,16,18,27H,3-4,8,13-15,17H2,1-2H3

InChI Key

JTRVRMMOVSQIFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.124

Distribution Coefficient, logD

3.038

Water Solubility, LogSw

-4.20

Polar Surface Area

45.759

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

8.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

D007-0210 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D007-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D007-0210?
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What is the minimum amount of D007-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D007-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D007-0210
  • 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 D007-0210 available by request