C673-0542 Screening compound: 2-[(6-{[(1-methyl-3-phenylpropyl)amino]carbonyl}-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)sulfanyl]acetic acid

C673-0542 Screening compound: 2-[(6-{[(1-methyl-3-phenylpropyl)amino]carbonyl}-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)sulfanyl]acetic acid
C673-0542 Screening compound: 2-[(6-{[(1-methyl-3-phenylpropyl)amino]carbonyl}-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)sulfanyl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C673-0542
2-[(6-{[(1-methyl-3-phenylpropyl)amino]carbonyl}-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)sulfanyl]acetic 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

C673-0542

Molecular Formula

C25H26N2O3S (C25 H26 N2 O3 S)

Compound Name

2-[(6-{[(1-methyl-3-phenylpropyl)amino]carbonyl}-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)sulfanyl]acetic acid

IUPAC name

2-({6-[(4-phenylbutan-2-yl)carbamoyl]-1H2H3H-cyclopenta[b]quinolin-9-yl}sulfanyl)acetic acid

SMILES

CC(CCc1ccccc1)NC(c1ccc2c(SCC(O)=O)c(CCC3)c3nc2c1)=O

InChI

InChI=1S/C25H26N2O3S/c1-16(10-11-17-6-3-2-4-7-17)26-25(30)18-12-13-20-22(14-18)27-21-9-5-8-19(21)24(20)31-15-23(28)29/h2-4,6-7,12-14,16H,5,8-11,15H2,1H3,(H,26,30)(H,28,29)/t16-/m0/s1

InChI Key

HJWVKDBKGUEOSP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14780974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.046

Distribution Coefficient, logD

0.408

Water Solubility, LogSw

-4.22

Polar Surface Area

62.595

Acid Dissociation Constant (pKa)

3.76

Base Dissociation Constant (pKb)

5.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

C673-0542 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C673-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C673-0542?
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What is the minimum amount of C673-0542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C673-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C673-0542
  • 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 C673-0542 available by request