P578-2006 Screening compound: 1-(4-{1-[6-(thiomorpholin-4-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}piperazin-1-yl)ethan-1-one

P578-2006 Screening compound: 1-(4-{1-[6-(thiomorpholin-4-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}piperazin-1-yl)ethan-1-one
P578-2006 Screening compound: 1-(4-{1-[6-(thiomorpholin-4-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}piperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P578-2006
1-(4-{1-[6-(thiomorpholin-4-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}piperazin-1-yl)ethan-1-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

P578-2006

Molecular Formula

C18H23N7O2S (C18 H23 N7 O2 S)

Compound Name

1-(4-{1-[6-(thiomorpholin-4-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}piperazin-1-yl)ethan-1-one

IUPAC name

1-(4-{1-[6-(thiomorpholin-4-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}piperazin-1-yl)ethan-1-one

SMILES

CC(N(CC1)CCN1C(c(nc1)cn1-c1cc(N2CCSCC2)ncn1)=O)=O

InChI

InChI=1S/C18H23N7O2S/c1-14(26)22-2-4-24(5-3-22)18(27)15-11-25(13-21-15)17-10-16(19-12-20-17)23-6-8-28-9-7-23/h10-13H,2-9H2,1H3

InChI Key

RKAOBOXOOCXABP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27605513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.380

Distribution Coefficient, logD

1.374

Water Solubility, LogSw

-1.90

Polar Surface Area

68.510

Acid Dissociation Constant (pKa)

23.11

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

P578-2006 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with P578-2006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P578-2006?
Check Price and Availability of P578-2006, 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 P578-2006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P578-2006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P578-2006
  • 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 P578-2006 available by request