8010-3987 Screening compound: cyclohexyl 2,7,7-trimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

8010-3987 Screening compound: cyclohexyl 2,7,7-trimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
8010-3987 Screening compound: cyclohexyl 2,7,7-trimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3987
cyclohexyl 2,7,7-trimethyl-5-oxo-4-(thiophen-3-yl)-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

8010-3987

Molecular Formula

C23H29NO3S (C23 H29 NO3 S)

Compound Name

cyclohexyl 2,7,7-trimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

cyclohexyl 277-trimethyl-5-oxo-4-(thiophen-3-yl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)(C1)CC(NC(C)=C(C2c3cscc3)C(OC3CCCCC3)=O)=C2C1=O

InChI

InChI=1S/C23H29NO3S/c1-14-19(22(26)27-16-7-5-4-6-8-16)20(15-9-10-28-13-15)21-17(24-14)11-23(2,3)12-18(21)25/h9-10,13,16,20,24H,4-8,11-12H2,1-3H3/t20-/m0/s1

InChI Key

NMFSZHCMHWNBFU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01824516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.55

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

5.166

Distribution Coefficient, logD

0.838

Water Solubility, LogSw

-4.96

Polar Surface Area

45.023

Acid Dissociation Constant (pKa)

3.07

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.50

8010-3987 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 8010-3987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3987?
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What is the minimum amount of 8010-3987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3987
  • 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 8010-3987 available by request