1630-1493 Screening compound: 2-ethoxyethyl 4-(2,3-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1630-1493 Screening compound: 2-ethoxyethyl 4-(2,3-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1630-1493 Screening compound: 2-ethoxyethyl 4-(2,3-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 1630-1493
2-ethoxyethyl 4-(2,3-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

1630-1493

Molecular Formula

C23H27Cl2NO4 (C23 H27 Cl2 NO4)

Compound Name

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

IUPAC name

2-ethoxyethyl 4-(23-dichlorophenyl)-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOCCOC(C(C1c2cccc(Cl)c2Cl)=C(C)NC(CC(C)(C)C2)=C1C2=O)=O

InChI

InChI=1S/C23H27Cl2NO4/c1-5-29-9-10-30-22(28)18-13(2)26-16-11-23(3,4)12-17(27)20(16)19(18)14-7-6-8-15(24)21(14)25/h6-8,19,26H,5,9-12H2,1-4H3/t19-/m0/s1

InChI Key

GEVAZLMEJGGZFY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00753043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.940

Distribution Coefficient, logD

0.816

Water Solubility, LogSw

-4.88

Polar Surface Area

52.946

Acid Dissociation Constant (pKa)

3.28

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

1630-1493 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1630-1493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-1493?
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What is the minimum amount of 1630-1493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-1493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-1493
  • 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 1630-1493 available by request