1630-0136 Screening compound: cyclohexyl 4-(3,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1630-0136 Screening compound: cyclohexyl 4-(3,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1630-0136 Screening compound: cyclohexyl 4-(3,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-0136
cyclohexyl 4-(3,4-dichlorophenyl)-2,7,7-trimethyl-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

1630-0136

Molecular Formula

C25H29Cl2NO3 (C25 H29 Cl2 NO3)

Compound Name

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

IUPAC name

cyclohexyl 4-(34-dichlorophenyl)-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)(C1)CC(NC(C)=C(C2c(cc3)cc(Cl)c3Cl)C(OC3CCCCC3)=O)=C2C1=O

InChI

InChI=1S/C25H29Cl2NO3/c1-14-21(24(30)31-16-7-5-4-6-8-16)22(15-9-10-17(26)18(27)11-15)23-19(28-14)12-25(2,3)13-20(23)29/h9-11,16,22,28H,4-8,12-13H2,1-3H3/t22-/m0/s1

InChI Key

DTHYISLWHFINLH-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00330997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.42

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

6.842

Distribution Coefficient, logD

2.555

Water Solubility, LogSw

-6.49

Polar Surface Area

44.005

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

1630-0136 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1630-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-0136?
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What is the minimum amount of 1630-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0136
  • 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 1630-0136 available by request