D639-0072 Screening compound: N-(3-ethylphenyl)-4-[2-methyl-6-(piperidin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide

D639-0072 Screening compound: N-(3-ethylphenyl)-4-[2-methyl-6-(piperidin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
D639-0072 Screening compound: N-(3-ethylphenyl)-4-[2-methyl-6-(piperidin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D639-0072
N-(3-ethylphenyl)-4-[2-methyl-6-(piperidin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide

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

D639-0072

Molecular Formula

C23H32N6O (C23 H32 N6 O)

Compound Name

N-(3-ethylphenyl)-4-[2-methyl-6-(piperidin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide

IUPAC name

N-(3-ethylphenyl)-4-[2-methyl-6-(piperidin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide

SMILES

CCc1cccc(NC(N(CC2)CCN2c2nc(C)nc(N3CCCCC3)c2)=O)c1

InChI

InChI=1S/C23H32N6O/c1-3-19-8-7-9-20(16-19)26-23(30)29-14-12-28(13-15-29)22-17-21(24-18(2)25-22)27-10-5-4-6-11-27/h7-9,16-17H,3-6,10-15H2,1-2H3,(H,26,30)

InChI Key

NYMWIKFFAPYPCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19027210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.957

Distribution Coefficient, logD

4.930

Water Solubility, LogSw

-4.60

Polar Surface Area

49.531

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

D639-0072 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with D639-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D639-0072?
Check Price and Availability of D639-0072, 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 D639-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D639-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D639-0072
  • 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 D639-0072 available by request