L312-0177 Screening compound: methyl 5-[3-(4-methoxyphenyl)propanamido]-3-propoxy-1-benzothiophene-2-carboxylate

L312-0177 Screening compound: methyl 5-[3-(4-methoxyphenyl)propanamido]-3-propoxy-1-benzothiophene-2-carboxylate
L312-0177 Screening compound: methyl 5-[3-(4-methoxyphenyl)propanamido]-3-propoxy-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L312-0177
methyl 5-[3-(4-methoxyphenyl)propanamido]-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

L312-0177

Molecular Formula

C23H25NO5S (C23 H25 NO5 S)

Compound Name

methyl 5-[3-(4-methoxyphenyl)propanamido]-3-propoxy-1-benzothiophene-2-carboxylate

IUPAC name

methyl 5-[3-(4-methoxyphenyl)propanamido]-3-propoxy-1-benzothiophene-2-carboxylate

SMILES

CCCOc1c(C(OC)=O)sc(cc2)c1cc2NC(CCc(cc1)ccc1OC)=O

InChI

InChI=1S/C23H25NO5S/c1-4-13-29-21-18-14-16(8-11-19(18)30-22(21)23(26)28-3)24-20(25)12-7-15-5-9-17(27-2)10-6-15/h5-6,8-11,14H,4,7,12-13H2,1-3H3,(H,24,25)

InChI Key

SRXBJSRAIIPLTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15123468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.166

Distribution Coefficient, logD

5.166

Water Solubility, LogSw

-5.18

Polar Surface Area

60.172

Acid Dissociation Constant (pKa)

11.51

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

L312-0177 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 L312-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L312-0177?
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What is the minimum amount of L312-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L312-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L312-0177
  • 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 L312-0177 available by request