C202-2118 Screening compound: 4-tert-butyl-N-[4-(4-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyrimidin-2-yl]benzamide

C202-2118 Screening compound: 4-tert-butyl-N-[4-(4-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyrimidin-2-yl]benzamide
C202-2118 Screening compound: 4-tert-butyl-N-[4-(4-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyrimidin-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-2118
4-tert-butyl-N-[4-(4-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyrimidin-2-yl]benzamide

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

C202-2118

Molecular Formula

C22H25N3O3 (C22 H25 N3 O3)

Compound Name

4-tert-butyl-N-[4-(4-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyrimidin-2-yl]benzamide

IUPAC name

4-tert-butyl-N-[4-(4-methoxyphenyl)-6-oxo-1456-tetrahydropyrimidin-2-yl]benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(NC(NC(C1)=O)=NC1c(cc1)ccc1OC)=O

InChI

InChI=1S/C22H25N3O3/c1-22(2,3)16-9-5-15(6-10-16)20(27)25-21-23-18(13-19(26)24-21)14-7-11-17(28-4)12-8-14/h5-12,18H,13H2,1-4H3,(H2,23,24,25,26,27)/t18-/m1/s1

InChI Key

KLGGYKKEWXPNCQ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14730777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

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

4.088

Distribution Coefficient, logD

4.040

Water Solubility, LogSw

-4.23

Polar Surface Area

66.777

Acid Dissociation Constant (pKa)

8.34

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with C202-2118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2118?
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What is the minimum amount of C202-2118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2118
  • 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 C202-2118 available by request