1716-1950 Screening compound: cycloheptyl 4-(4-methoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1716-1950 Screening compound: cycloheptyl 4-(4-methoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1716-1950 Screening compound: cycloheptyl 4-(4-methoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1716-1950
cycloheptyl 4-(4-methoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-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

1716-1950

Molecular Formula

C21H28N2O4 (C21 H28 N2 O4)

Compound Name

cycloheptyl 4-(4-methoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

cycloheptyl 4-(4-methoxyphenyl)-16-dimethyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(N(C)C(NC1c(cc2)ccc2OC)=O)=C1C(OC1CCCCCC1)=O

InChI

InChI=1S/C21H28N2O4/c1-14-18(20(24)27-17-8-6-4-5-7-9-17)19(22-21(25)23(14)2)15-10-12-16(26-3)13-11-15/h10-13,17,19H,4-9H2,1-3H3,(H,22,25)/t19-/m1/s1

InChI Key

YISQDVJARVNZTE-LJQANCHMSA-N

MDL Number (MFCD)

MFCD00718219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.031

Distribution Coefficient, logD

4.031

Water Solubility, LogSw

-4.07

Polar Surface Area

55.634

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

-4.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

1716-1950 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 1716-1950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1716-1950?
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What is the minimum amount of 1716-1950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1716-1950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1716-1950
  • 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 1716-1950 available by request