1630-0122 Screening compound: cyclopentyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

1630-0122 Screening compound: cyclopentyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
1630-0122 Screening compound: cyclopentyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-0122
cyclopentyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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

1630-0122

Molecular Formula

C17H20N2O3 (C17 H20 N2 O3)

Compound Name

cyclopentyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

cyclopentyl 6-methyl-2-oxo-4-phenyl-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(NC(NC1c2ccccc2)=O)=C1C(OC1CCCC1)=O

InChI

InChI=1S/C17H20N2O3/c1-11-14(16(20)22-13-9-5-6-10-13)15(19-17(21)18-11)12-7-3-2-4-8-12/h2-4,7-8,13,15H,5-6,9-10H2,1H3,(H2,18,19,21)/t15-/m1/s1

InChI Key

NIRYAFJACFZZFX-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD00401682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.319

Distribution Coefficient, logD

2.168

Water Solubility, LogSw

-2.78

Polar Surface Area

56.141

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

1630-0122 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1630-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-0122?
Check Price and Availability of 1630-0122, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1630-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0122
  • 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 1630-0122 available by request