1901-0032 Screening compound: 2-phenoxyethyl 4-(2-ethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1901-0032 Screening compound: 2-phenoxyethyl 4-(2-ethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1901-0032 Screening compound: 2-phenoxyethyl 4-(2-ethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1901-0032
2-phenoxyethyl 4-(2-ethoxyphenyl)-1,6-dimethyl-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

1901-0032

Molecular Formula

C23H26N2O5 (C23 H26 N2 O5)

Compound Name

2-phenoxyethyl 4-(2-ethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

2-phenoxyethyl 4-(2-ethoxyphenyl)-16-dimethyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOc1c(C(C(C(OCCOc2ccccc2)=O)=C(C)N2C)NC2=O)cccc1

InChI

InChI=1S/C23H26N2O5/c1-4-28-19-13-9-8-12-18(19)21-20(16(2)25(3)23(27)24-21)22(26)30-15-14-29-17-10-6-5-7-11-17/h5-13,21H,4,14-15H2,1-3H3,(H,24,27)/t21-/m1/s1

InChI Key

HULQGWAXUAUBTF-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD00816328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.625

Distribution Coefficient, logD

3.622

Water Solubility, LogSw

-3.63

Polar Surface Area

63.079

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

-4.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

1901-0032 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 1901-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1901-0032?
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What is the minimum amount of 1901-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1901-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1901-0032
  • 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 1901-0032 available by request