T003-0123 Screening compound: 2-chloro-1-{4-[2-methyl-5-(piperidinocarbonyl)-4-pyrimidinyl]piperidino}-1-propanone

T003-0123 Screening compound: 2-chloro-1-{4-[2-methyl-5-(piperidinocarbonyl)-4-pyrimidinyl]piperidino}-1-propanone
T003-0123 Screening compound: 2-chloro-1-{4-[2-methyl-5-(piperidinocarbonyl)-4-pyrimidinyl]piperidino}-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T003-0123
2-chloro-1-{4-[2-methyl-5-(piperidinocarbonyl)-4-pyrimidinyl]piperidino}-1-propanone

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

T003-0123

Molecular Formula

C19H27ClN4O2 (C19 H27 ClN4 O2)

Compound Name

2-chloro-1-{4-[2-methyl-5-(piperidinocarbonyl)-4-pyrimidinyl]piperidino}-1-propanone

IUPAC name

2-chloro-1-{4-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]piperidin-1-yl}propan-1-one

SMILES

CC(C(N(CC1)CCC1c1nc(C)ncc1C(N1CCCCC1)=O)=O)Cl

InChI

InChI=1S/C19H27ClN4O2/c1-13(20)18(25)24-10-6-15(7-11-24)17-16(12-21-14(2)22-17)19(26)23-8-4-3-5-9-23/h12-13,15H,3-11H2,1-2H3/t13-/m0/s1

InChI Key

ATFDKYOAYBYFSY-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.124

Distribution Coefficient, logD

2.124

Water Solubility, LogSw

-2.41

Polar Surface Area

53.011

Acid Dissociation Constant (pKa)

19.60

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.42

T003-0123 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with T003-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T003-0123?
Check Price and Availability of T003-0123, 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 T003-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T003-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T003-0123
  • 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 T003-0123 available by request