2251-3102 Screening compound: cyclooctyl 6-methyl-2-oxo-4-[2-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

2251-3102 Screening compound: cyclooctyl 6-methyl-2-oxo-4-[2-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2251-3102 Screening compound: cyclooctyl 6-methyl-2-oxo-4-[2-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2251-3102
cyclooctyl 6-methyl-2-oxo-4-[2-(propan-2-yloxy)phenyl]-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

2251-3102

Molecular Formula

C23H32N2O4 (C23 H32 N2 O4)

Compound Name

cyclooctyl 6-methyl-2-oxo-4-[2-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

cyclooctyl 6-methyl-2-oxo-4-[2-(propan-2-yloxy)phenyl]-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(C)Oc1c(C(C(C(OC2CCCCCCC2)=O)=C(C)N2)NC2=O)cccc1

InChI

InChI=1S/C23H32N2O4/c1-15(2)28-19-14-10-9-13-18(19)21-20(16(3)24-23(27)25-21)22(26)29-17-11-7-5-4-6-8-12-17/h9-10,13-15,17,21H,4-8,11-12H2,1-3H3,(H2,24,25,27)/t21-/m1/s1

InChI Key

ZGBYCOAJHXRKTR-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD01192529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.891

Distribution Coefficient, logD

4.740

Water Solubility, LogSw

-4.56

Polar Surface Area

62.996

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.50

2251-3102 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 2251-3102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2251-3102?
Check Price and Availability of 2251-3102, 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 2251-3102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2251-3102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2251-3102
  • 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 2251-3102 available by request