L088-1001 Screening compound: methyl 4-{[(E)-N'-(2,3-dimethylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]carbamoyl}benzoate

L088-1001 Screening compound: methyl 4-{[(E)-N'-(2,3-dimethylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]carbamoyl}benzoate
L088-1001 Screening compound: methyl 4-{[(E)-N'-(2,3-dimethylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]carbamoyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L088-1001
methyl 4-{[(E)-N'-(2,3-dimethylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]carbamoyl}benzoate

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

L088-1001

Molecular Formula

C23H27N3O4 (C23 H27 N3 O4)

Compound Name

methyl 4-{[(E)-N'-(2,3-dimethylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]carbamoyl}benzoate

IUPAC name

methyl 4-{[(E)-N'-(23-dimethylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl]carbamoyl}benzoate

SMILES

Cc1cccc(/N=C(\NCC2OCCC2)/NC(c(cc2)ccc2C(OC)=O)=O)c1C

InChI

InChI=1S/C23H27N3O4/c1-15-6-4-8-20(16(15)2)25-23(24-14-19-7-5-13-30-19)26-21(27)17-9-11-18(12-10-17)22(28)29-3/h4,6,8-12,19H,5,7,13-14H2,1-3H3,(H2,24,25,26,27)/t19-/m1/s1

InChI Key

SVKRCJJRBNCFMD-LJQANCHMSA-N

MDL Number (MFCD)

MFCD27231042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.778

Distribution Coefficient, logD

3.702

Water Solubility, LogSw

-4.03

Polar Surface Area

70.982

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

L088-1001 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 L088-1001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L088-1001?
Check Price and Availability of L088-1001, 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 L088-1001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L088-1001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L088-1001
  • 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 L088-1001 available by request