5773-0017 Screening compound: 1-(3,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

5773-0017 Screening compound: 1-(3,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
5773-0017 Screening compound: 1-(3,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5773-0017
1-(3,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

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

5773-0017

Molecular Formula

C23H27Cl2N3O3 (C23 H27 Cl2 N3 O3)

Compound Name

1-(3,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

1-(34-dichlorophenyl)-N-[3-(dimethylamino)propyl]-77-dimethyl-25-dioxo-125678-hexahydroquinoline-3-carboxamide

SMILES

CC(C)(C1)CC(N(c(cc2)cc(Cl)c2Cl)C(C(C(NCCCN(C)C)=O)=C2)=O)=C2C1=O

InChI

InChI=1S/C23H27Cl2N3O3/c1-23(2)12-19-15(20(29)13-23)11-16(21(30)26-8-5-9-27(3)4)22(31)28(19)14-6-7-17(24)18(25)10-14/h6-7,10-11H,5,8-9,12-13H2,1-4H3,(H,26,30)

InChI Key

ACKGHCRXIFGLBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05259028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.764

Distribution Coefficient, logD

0.350

Water Solubility, LogSw

-3.50

Polar Surface Area

56.972

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

9.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with 5773-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5773-0017?
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What is the minimum amount of 5773-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5773-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5773-0017
  • 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 5773-0017 available by request