4099-6470 Screening compound: butyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

4099-6470 Screening compound: butyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
4099-6470 Screening compound: butyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4099-6470
butyl 4-(4-hydroxyphenyl)-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

4099-6470

Molecular Formula

C16H20N2O4 (C16 H20 N2 O4)

Compound Name

butyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

butyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCCCOC(C(C(c(cc1)ccc1O)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C16H20N2O4/c1-3-4-9-22-15(20)13-10(2)17-16(21)18-14(13)11-5-7-12(19)8-6-11/h5-8,14,19H,3-4,9H2,1-2H3,(H2,17,18,21)/t14-/m1/s1

InChI Key

NEBQCHPBBUDAPH-CQSZACIVSA-N

MDL Number (MFCD)

MFCD01193006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.910

Distribution Coefficient, logD

1.760

Water Solubility, LogSw

-2.46

Polar Surface Area

74.356

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 4099-6470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4099-6470?
Check Price and Availability of 4099-6470, 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 4099-6470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4099-6470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4099-6470
  • 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 4099-6470 available by request