L558-1112 Screening compound: N-cycloheptyl-2-{1-ethyl-2,4-dioxo-7-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl}acetamide

L558-1112 Screening compound: N-cycloheptyl-2-{1-ethyl-2,4-dioxo-7-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl}acetamide
L558-1112 Screening compound: N-cycloheptyl-2-{1-ethyl-2,4-dioxo-7-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L558-1112
N-cycloheptyl-2-{1-ethyl-2,4-dioxo-7-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl}acetamide

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

L558-1112

Molecular Formula

C23H27N5O3 (C23 H27 N5 O3)

Compound Name

N-cycloheptyl-2-{1-ethyl-2,4-dioxo-7-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl}acetamide

IUPAC name

N-cycloheptyl-2-{1-ethyl-24-dioxo-7-phenyl-1H2H3H4H-[13]diazino[45-d]pyrimidin-3-yl}acetamide

SMILES

CCN(c(nc(-c1ccccc1)nc1)c1C(N1CC(NC2CCCCCC2)=O)=O)C1=O

InChI

InChI=1S/C23H27N5O3/c1-2-27-21-18(14-24-20(26-21)16-10-6-5-7-11-16)22(30)28(23(27)31)15-19(29)25-17-12-8-3-4-9-13-17/h5-7,10-11,14,17H,2-4,8-9,12-13,15H2,1H3,(H,25,29)

InChI Key

CLCRNFZLNQEHDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27461875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.942

Distribution Coefficient, logD

3.942

Water Solubility, LogSw

-3.82

Polar Surface Area

75.895

Acid Dissociation Constant (pKa)

15.46

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

L558-1112 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L558-1112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L558-1112?
Check Price and Availability of L558-1112, 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 L558-1112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L558-1112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L558-1112
  • 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 L558-1112 available by request