L088-0006 Screening compound: 3,4-dimethyl-N-[(E)-N-[(oxolan-2-yl)methyl]-N'-phenylcarbamimidoyl]benzamide

L088-0006 Screening compound: 3,4-dimethyl-N-[(E)-N-[(oxolan-2-yl)methyl]-N'-phenylcarbamimidoyl]benzamide
L088-0006 Screening compound: 3,4-dimethyl-N-[(E)-N-[(oxolan-2-yl)methyl]-N'-phenylcarbamimidoyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L088-0006
3,4-dimethyl-N-[(E)-N-[(oxolan-2-yl)methyl]-N'-phenylcarbamimidoyl]benzamide

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

L088-0006

Molecular Formula

C21H25N3O2 (C21 H25 N3 O2)

Compound Name

3,4-dimethyl-N-[(E)-N-[(oxolan-2-yl)methyl]-N'-phenylcarbamimidoyl]benzamide

IUPAC name

34-dimethyl-N-[(E)-N-[(oxolan-2-yl)methyl]-N'-phenylcarbamimidoyl]benzamide

SMILES

Cc(cc1)c(C)cc1C(N/C(/NCC1OCCC1)=N/c1ccccc1)=O

InChI

InChI=1S/C21H25N3O2/c1-15-10-11-17(13-16(15)2)20(25)24-21(22-14-19-9-6-12-26-19)23-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,19H,6,9,12,14H2,1-2H3,(H2,22,23,24,25)/t19-/m1/s1

InChI Key

CLNMYEASZLCIOP-LJQANCHMSA-N

MDL Number (MFCD)

MFCD27230706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.577

Distribution Coefficient, logD

3.548

Water Solubility, LogSw

-3.69

Polar Surface Area

50.506

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

6.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

L088-0006 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L088-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L088-0006?
Check Price and Availability of L088-0006, 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 L088-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L088-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L088-0006
  • 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 L088-0006 available by request