L555-0580 Screening compound: 5,6-dimethyl-N-{[4-(methylsulfanyl)phenyl]methyl}-7-phenyl-4-(piperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide

L555-0580 Screening compound: 5,6-dimethyl-N-{[4-(methylsulfanyl)phenyl]methyl}-7-phenyl-4-(piperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
L555-0580 Screening compound: 5,6-dimethyl-N-{[4-(methylsulfanyl)phenyl]methyl}-7-phenyl-4-(piperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L555-0580
5,6-dimethyl-N-{[4-(methylsulfanyl)phenyl]methyl}-7-phenyl-4-(piperidin-1-yl)-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

L555-0580

Molecular Formula

C28H31N5OS (C28 H31 N5 OS)

Compound Name

5,6-dimethyl-N-{[4-(methylsulfanyl)phenyl]methyl}-7-phenyl-4-(piperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide

IUPAC name

56-dimethyl-N-{[4-(methylsulfanyl)phenyl]methyl}-7-phenyl-4-(piperidin-1-yl)-7H-pyrrolo[23-d]pyrimidine-2-carboxamide

SMILES

Cc(c1c(N2CCCCC2)nc(C(NCc(cc2)ccc2SC)=O)nc11)c(C)n1-c1ccccc1

InChI

InChI=1S/C28H31N5OS/c1-19-20(2)33(22-10-6-4-7-11-22)27-24(19)26(32-16-8-5-9-17-32)30-25(31-27)28(34)29-18-21-12-14-23(35-3)15-13-21/h4,6-7,10-15H,5,8-9,16-18H2,1-3H3,(H,29,34)

InChI Key

STTMVRMLYKXXNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15130312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.145

Distribution Coefficient, logD

6.145

Water Solubility, LogSw

-5.68

Polar Surface Area

49.411

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

L555-0580 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with L555-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L555-0580?
Check Price and Availability of L555-0580, 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 L555-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L555-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L555-0580
  • 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 L555-0580 available by request