D007-0387 Screening compound: 8-chloro-3-[2-(dibutylamino)ethyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one

D007-0387 Screening compound: 8-chloro-3-[2-(dibutylamino)ethyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one
D007-0387 Screening compound: 8-chloro-3-[2-(dibutylamino)ethyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D007-0387
8-chloro-3-[2-(dibutylamino)ethyl]-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

D007-0387

Molecular Formula

C20H27ClN4O (C20 H27 ClN4 O)

Compound Name

8-chloro-3-[2-(dibutylamino)ethyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one

IUPAC name

8-chloro-3-[2-(dibutylamino)ethyl]-3H4H5H-pyrimido[54-b]indol-4-one

SMILES

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

InChI

InChI=1S/C20H27ClN4O/c1-3-5-9-24(10-6-4-2)11-12-25-14-22-18-16-13-15(21)7-8-17(16)23-19(18)20(25)26/h7-8,13-14,23H,3-6,9-12H2,1-2H3

InChI Key

XFUQOSOGWOGUGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.243

Distribution Coefficient, logD

3.298

Water Solubility, LogSw

-4.27

Polar Surface Area

38.466

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

8.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D007-0387 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with D007-0387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D007-0387?
Check Price and Availability of D007-0387, 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 D007-0387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D007-0387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D007-0387
  • 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 D007-0387 available by request