8011-6738 Screening compound: butan-2-yl 6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8011-6738 Screening compound: butan-2-yl 6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8011-6738 Screening compound: butan-2-yl 6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-6738
butan-2-yl 6-methyl-2-oxo-4-[4-(trifluoromethyl)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

8011-6738

Molecular Formula

C17H19F3N2O3 (C17 H19 F3 N2 O3)

Compound Name

butan-2-yl 6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

butan-2-yl 6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCC(C)OC(C(C(c1ccc(C(F)(F)F)cc1)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C17H19F3N2O3/c1-4-9(2)25-15(23)13-10(3)21-16(24)22-14(13)11-5-7-12(8-6-11)17(18,19)20/h5-9,14H,4H2,1-3H3,(H2,21,22,24)

InChI Key

VCCZMLWAYPONJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02105431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.34

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

3.626

Distribution Coefficient, logD

3.475

Water Solubility, LogSw

-3.80

Polar Surface Area

56.007

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.20

8011-6738 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8011-6738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-6738?
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What is the minimum amount of 8011-6738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-6738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-6738
  • 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 8011-6738 available by request