8010-5119 Screening compound: 3-({3-[(2-ethoxyphenyl)carbamoyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)propanoic acid

8010-5119 Screening compound: 3-({3-[(2-ethoxyphenyl)carbamoyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)propanoic acid
8010-5119 Screening compound: 3-({3-[(2-ethoxyphenyl)carbamoyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5119
3-({3-[(2-ethoxyphenyl)carbamoyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)propanoic acid

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

8010-5119

Molecular Formula

C22H26N2O5S (C22 H26 N2 O5 S)

Compound Name

3-({3-[(2-ethoxyphenyl)carbamoyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)propanoic acid

IUPAC name

3-({3-[(2-ethoxyphenyl)carbamoyl]-4H5H6H7H8H-cyclohepta[b]thiophen-2-yl}carbamoyl)propanoic acid

SMILES

CCOc(cccc1)c1NC(c1c(NC(CCC(O)=O)=O)sc2c1CCCCC2)=O

InChI

InChI=1S/C22H26N2O5S/c1-2-29-16-10-7-6-9-15(16)23-21(28)20-14-8-4-3-5-11-17(14)30-22(20)24-18(25)12-13-19(26)27/h6-7,9-10H,2-5,8,11-13H2,1H3,(H,23,28)(H,24,25)(H,26,27)

InChI Key

BYUNIXCXMTZCHJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.652

Distribution Coefficient, logD

0.703

Water Solubility, LogSw

-4.24

Polar Surface Area

81.421

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with 8010-5119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5119?
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What is the minimum amount of 8010-5119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5119
  • 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 8010-5119 available by request