L312-0203 Screening compound: methyl 5-[(2,6-difluorobenzoyl)amino]-3-propoxy-1-benzothiophene-2-carboxylate

L312-0203 Screening compound: methyl 5-[(2,6-difluorobenzoyl)amino]-3-propoxy-1-benzothiophene-2-carboxylate
L312-0203 Screening compound: methyl 5-[(2,6-difluorobenzoyl)amino]-3-propoxy-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L312-0203
methyl 5-[(2,6-difluorobenzoyl)amino]-3-propoxy-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

L312-0203

Molecular Formula

C20H17F2NO4S (C20 H17 F2 NO4 S)

Compound Name

methyl 5-[(2,6-difluorobenzoyl)amino]-3-propoxy-1-benzothiophene-2-carboxylate

IUPAC name

methyl 5-(26-difluorobenzamido)-3-propoxy-1-benzothiophene-2-carboxylate

SMILES

CCCOc1c(C(OC)=O)sc(cc2)c1cc2NC(c(c(F)ccc1)c1F)=O

InChI

InChI=1S/C20H17F2NO4S/c1-3-9-27-17-12-10-11(7-8-15(12)28-18(17)20(25)26-2)23-19(24)16-13(21)5-4-6-14(16)22/h4-8,10H,3,9H2,1-2H3,(H,23,24)

InChI Key

YBNCAIZXQDODIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15123479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.102

Distribution Coefficient, logD

5.082

Water Solubility, LogSw

-5.09

Polar Surface Area

52.841

Acid Dissociation Constant (pKa)

8.72

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

L312-0203 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L312-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L312-0203?
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What is the minimum amount of L312-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L312-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L312-0203
  • 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 L312-0203 available by request