L311-0422 Screening compound: methyl 5-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]amino}-3-(2-methylpropoxy)-1-benzothiophene-2-carboxylate

L311-0422 Screening compound: methyl 5-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]amino}-3-(2-methylpropoxy)-1-benzothiophene-2-carboxylate
L311-0422 Screening compound: methyl 5-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]amino}-3-(2-methylpropoxy)-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L311-0422
methyl 5-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]amino}-3-(2-methylpropoxy)-1-benzothiophene-2-carboxylate

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

L311-0422

Molecular Formula

C23H24N2O6S (C23 H24 N2 O6 S)

Compound Name

methyl 5-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]amino}-3-(2-methylpropoxy)-1-benzothiophene-2-carboxylate

IUPAC name

methyl 5-{[(23-dihydro-14-benzodioxin-6-yl)carbamoyl]amino}-3-(2-methylpropoxy)-1-benzothiophene-2-carboxylate

SMILES

CC(C)COc1c(C(OC)=O)sc(cc2)c1cc2NC(Nc(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C23H24N2O6S/c1-13(2)12-31-20-16-10-14(5-7-19(16)32-21(20)22(26)28-3)24-23(27)25-15-4-6-17-18(11-15)30-9-8-29-17/h4-7,10-11,13H,8-9,12H2,1-3H3,(H2,24,25,27)

InChI Key

WJQXTXGOMFNOMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27244767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.917

Distribution Coefficient, logD

4.917

Water Solubility, LogSw

-4.73

Polar Surface Area

77.958

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

L311-0422 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L311-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L311-0422?
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What is the minimum amount of L311-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L311-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L311-0422
  • 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 L311-0422 available by request