L311-0031 Screening compound: methyl 5-{[(3-bromophenyl)carbamoyl]amino}-3-ethoxy-1-benzothiophene-2-carboxylate

L311-0031 Screening compound: methyl 5-{[(3-bromophenyl)carbamoyl]amino}-3-ethoxy-1-benzothiophene-2-carboxylate
L311-0031 Screening compound: methyl 5-{[(3-bromophenyl)carbamoyl]amino}-3-ethoxy-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L311-0031
methyl 5-{[(3-bromophenyl)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

L311-0031

Molecular Formula

C19H17BrN2O4S (C19 H17 BrN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1c(C(OC)=O)sc(cc2)c1cc2NC(Nc1cccc(Br)c1)=O

InChI

InChI=1S/C19H17BrN2O4S/c1-3-26-16-14-10-13(7-8-15(14)27-17(16)18(23)25-2)22-19(24)21-12-6-4-5-11(20)9-12/h4-10H,3H2,1-2H3,(H2,21,22,24)

InChI Key

URKRIRRYGFSWCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27244655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.33

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

5.826

Distribution Coefficient, logD

5.825

Water Solubility, LogSw

-5.60

Polar Surface Area

61.759

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

L311-0031 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L311-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L311-0031?
Check Price and Availability of L311-0031, 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 L311-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L311-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L311-0031
  • 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 L311-0031 available by request