1716-1938 Screening compound: cycloheptyl 1,6-dimethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1716-1938 Screening compound: cycloheptyl 1,6-dimethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1716-1938 Screening compound: cycloheptyl 1,6-dimethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1716-1938
cycloheptyl 1,6-dimethyl-4-(4-nitrophenyl)-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

1716-1938

Molecular Formula

C20H25N3O5 (C20 H25 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(N(C)C(NC1c(cc2)ccc2[N+]([O-])=O)=O)=C1C(OC1CCCCCC1)=O

InChI

InChI=1S/C20H25N3O5/c1-13-17(19(24)28-16-7-5-3-4-6-8-16)18(21-20(25)22(13)2)14-9-11-15(12-10-14)23(26)27/h9-12,16,18H,3-8H2,1-2H3,(H,21,25)/t18-/m0/s1

InChI Key

HFYSXIRAXRPCSL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD00718240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.974

Distribution Coefficient, logD

3.938

Water Solubility, LogSw

-3.99

Polar Surface Area

81.471

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

-4.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

1716-1938 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1716-1938 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1716-1938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1716-1938
  • 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 1716-1938 available by request