3607-5692 Screening compound: cyclopentyl 4-(3,4-difluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3607-5692 Screening compound: cyclopentyl 4-(3,4-difluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3607-5692 Screening compound: cyclopentyl 4-(3,4-difluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3607-5692
cyclopentyl 4-(3,4-difluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-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

3607-5692

Molecular Formula

C22H23F2NO3 (C22 H23 F2 NO3)

Compound Name

cyclopentyl 4-(3,4-difluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

cyclopentyl 4-(34-difluorophenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CCC1)=C(C2c(cc3)cc(F)c3F)C1=O)=C2C(OC1CCCC1)=O

InChI

InChI=1S/C22H23F2NO3/c1-12-19(22(27)28-14-5-2-3-6-14)20(13-9-10-15(23)16(24)11-13)21-17(25-12)7-4-8-18(21)26/h9-11,14,20,25H,2-8H2,1H3/t20-/m0/s1

InChI Key

ANPYGTNREFYFPG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD02104492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.434

Distribution Coefficient, logD

0.538

Water Solubility, LogSw

-4.40

Polar Surface Area

44.371

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

3607-5692 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3607-5692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3607-5692?
Check Price and Availability of 3607-5692, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3607-5692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3607-5692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3607-5692
  • 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 3607-5692 available by request