L311-0034 Screening compound: methyl 5-{[(4-bromo-2-fluorophenyl)carbamoyl]amino}-3-ethoxy-1-benzothiophene-2-carboxylate

L311-0034 Screening compound: methyl 5-{[(4-bromo-2-fluorophenyl)carbamoyl]amino}-3-ethoxy-1-benzothiophene-2-carboxylate
L311-0034 Screening compound: methyl 5-{[(4-bromo-2-fluorophenyl)carbamoyl]amino}-3-ethoxy-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L311-0034
methyl 5-{[(4-bromo-2-fluorophenyl)carbamoyl]amino}-3-ethoxy-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

L311-0034

Molecular Formula

C19H16BrFN2O4S (C19 H16 BrFN2 O4 S)

Compound Name

methyl 5-{[(4-bromo-2-fluorophenyl)carbamoyl]amino}-3-ethoxy-1-benzothiophene-2-carboxylate

IUPAC name

methyl 5-{[(4-bromo-2-fluorophenyl)carbamoyl]amino}-3-ethoxy-1-benzothiophene-2-carboxylate

SMILES

CCOc1c(C(OC)=O)sc(cc2)c1cc2NC(Nc(ccc(Br)c1)c1F)=O

InChI

InChI=1S/C19H16BrFN2O4S/c1-3-27-16-12-9-11(5-7-15(12)28-17(16)18(24)26-2)22-19(25)23-14-6-4-10(20)8-13(14)21/h4-9H,3H2,1-2H3,(H2,22,23,25)

InChI Key

HLCILMXWNVPWEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27244657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.699

Distribution Coefficient, logD

5.697

Water Solubility, LogSw

-5.56

Polar Surface Area

61.061

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

L311-0034 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 L311-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L311-0034?
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What is the minimum amount of L311-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L311-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L311-0034
  • 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 L311-0034 available by request