D007-0378 Screening compound: 3-{3-[butyl(methyl)amino]propyl}-8-chloro-3H,4H,5H-pyrimido[5,4-b]indol-4-one

D007-0378 Screening compound: 3-{3-[butyl(methyl)amino]propyl}-8-chloro-3H,4H,5H-pyrimido[5,4-b]indol-4-one
D007-0378 Screening compound: 3-{3-[butyl(methyl)amino]propyl}-8-chloro-3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D007-0378
3-{3-[butyl(methyl)amino]propyl}-8-chloro-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

D007-0378

Molecular Formula

C18H23ClN4O (C18 H23 ClN4 O)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H23ClN4O/c1-3-4-8-22(2)9-5-10-23-12-20-16-14-11-13(19)6-7-15(14)21-17(16)18(23)24/h6-7,11-12,21H,3-5,8-10H2,1-2H3

InChI Key

LUVLMUBKZNRDHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.929

Distribution Coefficient, logD

0.889

Water Solubility, LogSw

-3.55

Polar Surface Area

38.620

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

9.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

D007-0378 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS BBB Library (22607 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D007-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D007-0378?
Check Price and Availability of D007-0378, 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 D007-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D007-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D007-0378
  • 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 D007-0378 available by request