1630-1352 Screening compound: prop-2-en-1-yl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1630-1352 Screening compound: prop-2-en-1-yl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1630-1352 Screening compound: prop-2-en-1-yl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-1352
prop-2-en-1-yl 4-(2,3-dimethoxyphenyl)-2-methyl-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

1630-1352

Molecular Formula

C22H25NO5 (C22 H25 NO5)

Compound Name

prop-2-en-1-yl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

prop-2-en-1-yl 4-(23-dimethoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CCC1)=C(C2c(cccc3OC)c3OC)C1=O)=C2C(OCC=C)=O

InChI

InChI=1S/C22H25NO5/c1-5-12-28-22(25)18-13(2)23-15-9-7-10-16(24)20(15)19(18)14-8-6-11-17(26-3)21(14)27-4/h5-6,8,11,19,23H,1,7,9-10,12H2,2-4H3/t19-/m0/s1

InChI Key

LRBHXNRXPAVGPK-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00717929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.44

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

3.259

Distribution Coefficient, logD

-0.379

Water Solubility, LogSw

-3.55

Polar Surface Area

60.317

Acid Dissociation Constant (pKa)

3.76

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

1630-1352 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 1630-1352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-1352?
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What is the minimum amount of 1630-1352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-1352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-1352
  • 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 1630-1352 available by request