L555-0573 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5,6-dimethyl-7-phenyl-4-piperidino-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide

L555-0573 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5,6-dimethyl-7-phenyl-4-piperidino-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
L555-0573 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5,6-dimethyl-7-phenyl-4-piperidino-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L555-0573
N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5,6-dimethyl-7-phenyl-4-piperidino-7H-pyrrolo[2,3-d]pyrimidine-2-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

L555-0573

Molecular Formula

C24H29N5O3S (C24 H29 N5 O3 S)

Compound Name

N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5,6-dimethyl-7-phenyl-4-piperidino-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-56-dimethyl-7-phenyl-4-(piperidin-1-yl)-7H-pyrrolo[23-d]pyrimidine-2-carboxamide

SMILES

Cc(c1c(N2CCCCC2)nc(C(NC(CC2)CS2(=O)=O)=O)nc11)c(C)n1-c1ccccc1

InChI

InChI=1S/C24H29N5O3S/c1-16-17(2)29(19-9-5-3-6-10-19)23-20(16)22(28-12-7-4-8-13-28)26-21(27-23)24(30)25-18-11-14-33(31,32)15-18/h3,5-6,9-10,18H,4,7-8,11-15H2,1-2H3,(H,25,30)/t18-/m1/s1

InChI Key

CECMQLYWMLCSOS-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27461625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.142

Distribution Coefficient, logD

3.141

Water Solubility, LogSw

-3.65

Polar Surface Area

77.574

Acid Dissociation Constant (pKa)

16.10

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

L555-0573 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L555-0573 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L555-0573?
Check Price and Availability of L555-0573, 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 L555-0573 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L555-0573
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L555-0573
  • 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 L555-0573 available by request