C653-0169 Screening compound: ethyl 4-(3,4-dimethoxyphenyl)-6-[(4-fluorobenzenesulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C653-0169 Screening compound: ethyl 4-(3,4-dimethoxyphenyl)-6-[(4-fluorobenzenesulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C653-0169 Screening compound: ethyl 4-(3,4-dimethoxyphenyl)-6-[(4-fluorobenzenesulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C653-0169
ethyl 4-(3,4-dimethoxyphenyl)-6-[(4-fluorobenzenesulfonyl)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

C653-0169

Molecular Formula

C22H23FN2O7S (C22 H23 FN2 O7 S)

Compound Name

ethyl 4-(3,4-dimethoxyphenyl)-6-[(4-fluorobenzenesulfonyl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-(34-dimethoxyphenyl)-6-[(4-fluorobenzenesulfonyl)methyl]-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cc1)cc(OC)c1OC)N1)=C(CS(c(cc2)ccc2F)(=O)=O)NC1=O)=O

InChI

InChI=1S/C22H23FN2O7S/c1-4-32-21(26)19-16(12-33(28,29)15-8-6-14(23)7-9-15)24-22(27)25-20(19)13-5-10-17(30-2)18(11-13)31-3/h5-11,20H,4,12H2,1-3H3,(H2,24,25,27)/t20-/m1/s1

InChI Key

QEBGCVMHXVBIJJ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD08540955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.117

Distribution Coefficient, logD

1.691

Water Solubility, LogSw

-3.00

Polar Surface Area

101.078

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

-6.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

C653-0169 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C653-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C653-0169?
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What is the minimum amount of C653-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C653-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C653-0169
  • 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 C653-0169 available by request