D007-0382 Screening compound: 8-chloro-3-{3-[cyclohexyl(methyl)amino]propyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one

D007-0382 Screening compound: 8-chloro-3-{3-[cyclohexyl(methyl)amino]propyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one
D007-0382 Screening compound: 8-chloro-3-{3-[cyclohexyl(methyl)amino]propyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D007-0382
8-chloro-3-{3-[cyclohexyl(methyl)amino]propyl}-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

D007-0382

Molecular Formula

C20H25ClN4O (C20 H25 ClN4 O)

Compound Name

8-chloro-3-{3-[cyclohexyl(methyl)amino]propyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one

IUPAC name

8-chloro-3-{3-[cyclohexyl(methyl)amino]propyl}-3H4H5H-pyrimido[54-b]indol-4-one

SMILES

CN(CCCN(C=Nc1c2[nH]c(cc3)c1cc3Cl)C2=O)C1CCCCC1

InChI

InChI=1S/C20H25ClN4O/c1-24(15-6-3-2-4-7-15)10-5-11-25-13-22-18-16-12-14(21)8-9-17(16)23-19(18)20(25)26/h8-9,12-13,15,23H,2-7,10-11H2,1H3

InChI Key

WMQIPOOXMMLHSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.284

Distribution Coefficient, logD

1.259

Water Solubility, LogSw

-3.70

Polar Surface Area

37.313

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

9.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D007-0382 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D007-0382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D007-0382?
Check Price and Availability of D007-0382, 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 D007-0382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D007-0382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D007-0382
  • 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 D007-0382 available by request