L312-0030 Screening compound: methyl 3-ethoxy-5-(2-phenylbutanamido)-1-benzothiophene-2-carboxylate

L312-0030 Screening compound: methyl 3-ethoxy-5-(2-phenylbutanamido)-1-benzothiophene-2-carboxylate
L312-0030 Screening compound: methyl 3-ethoxy-5-(2-phenylbutanamido)-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L312-0030
methyl 3-ethoxy-5-(2-phenylbutanamido)-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

L312-0030

Molecular Formula

C22H23NO4S (C22 H23 NO4 S)

Compound Name

methyl 3-ethoxy-5-(2-phenylbutanamido)-1-benzothiophene-2-carboxylate

IUPAC name

methyl 3-ethoxy-5-(2-phenylbutanamido)-1-benzothiophene-2-carboxylate

SMILES

CCC(C(Nc(cc1)cc2c1sc(C(OC)=O)c2OCC)=O)c1ccccc1

InChI

InChI=1S/C22H23NO4S/c1-4-16(14-9-7-6-8-10-14)21(24)23-15-11-12-18-17(13-15)19(27-5-2)20(28-18)22(25)26-3/h6-13,16H,4-5H2,1-3H3,(H,23,24)/t16-/m1/s1

InChI Key

JBGQDXPLLZDBDX-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD15123434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.234

Distribution Coefficient, logD

5.234

Water Solubility, LogSw

-5.18

Polar Surface Area

52.547

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

L312-0030 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 L312-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L312-0030?
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What is the minimum amount of L312-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L312-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L312-0030
  • 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 L312-0030 available by request