0982-0122 Screening compound: 4-methylcyclohexyl 4-(2-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

0982-0122 Screening compound: 4-methylcyclohexyl 4-(2-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
0982-0122 Screening compound: 4-methylcyclohexyl 4-(2-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0982-0122
4-methylcyclohexyl 4-(2-bromophenyl)-6-methyl-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

0982-0122

Molecular Formula

C19H23BrN2O3 (C19 H23 BrN2 O3)

Compound Name

4-methylcyclohexyl 4-(2-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

4-methylcyclohexyl 4-(2-bromophenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(CC1)CCC1OC(C(C(c(cccc1)c1Br)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C19H23BrN2O3/c1-11-7-9-13(10-8-11)25-18(23)16-12(2)21-19(24)22-17(16)14-5-3-4-6-15(14)20/h3-6,11,13,17H,7-10H2,1-2H3,(H2,21,22,24)/t11?,13?,17-/m0/s1

InChI Key

TWRJFMKKVWHSCU-YUNLISADSA-N

MDL Number (MFCD)

MFCD00630171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.31

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

4.427

Distribution Coefficient, logD

4.319

Water Solubility, LogSw

-4.31

Polar Surface Area

55.775

Acid Dissociation Constant (pKa)

7.95

Base Dissociation Constant (pKb)

-4.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

0982-0122 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 0982-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0982-0122?
Check Price and Availability of 0982-0122, 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 0982-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0982-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0982-0122
  • 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 0982-0122 available by request