1630-1621 Screening compound: 2-methoxyethyl 4-(2,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1630-1621 Screening compound: 2-methoxyethyl 4-(2,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1630-1621 Screening compound: 2-methoxyethyl 4-(2,4-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 1630-1621
2-methoxyethyl 4-(2,4-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

1630-1621

Molecular Formula

C22H25Cl2NO4 (C22 H25 Cl2 NO4)

Compound Name

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

IUPAC name

2-methoxyethyl 4-(24-dichlorophenyl)-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)(C1)CC(NC(C)=C(C2c(ccc(Cl)c3)c3Cl)C(OCCOC)=O)=C2C1=O

InChI

InChI=1S/C22H25Cl2NO4/c1-12-18(21(27)29-8-7-28-4)19(14-6-5-13(23)9-15(14)24)20-16(25-12)10-22(2,3)11-17(20)26/h5-6,9,19,25H,7-8,10-11H2,1-4H3/t19-/m0/s1

InChI Key

HJSUQSMHZYUYNP-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00770971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.561

Distribution Coefficient, logD

0.437

Water Solubility, LogSw

-4.50

Polar Surface Area

53.311

Acid Dissociation Constant (pKa)

3.28

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

1630-1621 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 1630-1621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-1621?
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What is the minimum amount of 1630-1621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-1621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-1621
  • 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 1630-1621 available by request