0982-0095 Screening compound: 3-methylbutyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

0982-0095 Screening compound: 3-methylbutyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
0982-0095 Screening compound: 3-methylbutyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0982-0095
3-methylbutyl 4-(3,4-dichlorophenyl)-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

0982-0095

Molecular Formula

C17H20Cl2N2O3 (C17 H20 Cl2 N2 O3)

Compound Name

3-methylbutyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

3-methylbutyl 4-(34-dichlorophenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(C)CCOC(C(C(c(cc1)cc(Cl)c1Cl)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C17H20Cl2N2O3/c1-9(2)6-7-24-16(22)14-10(3)20-17(23)21-15(14)11-4-5-12(18)13(19)8-11/h4-5,8-9,15H,6-7H2,1-3H3,(H2,20,21,23)/t15-/m0/s1

InChI Key

WSFQQTJSUZONKP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00619609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.366

Distribution Coefficient, logD

4.216

Water Solubility, LogSw

-4.54

Polar Surface Area

56.739

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

0982-0095 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0982-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0982-0095?
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What is the minimum amount of 0982-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0982-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0982-0095
  • 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 0982-0095 available by request