V021-8786 Screening compound: ethyl 4-(2,3-dimethoxyphenyl)-1-methyl-2-oxo-6-[(2,3,5-trimethylphenoxy)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V021-8786 Screening compound: ethyl 4-(2,3-dimethoxyphenyl)-1-methyl-2-oxo-6-[(2,3,5-trimethylphenoxy)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V021-8786 Screening compound: ethyl 4-(2,3-dimethoxyphenyl)-1-methyl-2-oxo-6-[(2,3,5-trimethylphenoxy)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-8786
ethyl 4-(2,3-dimethoxyphenyl)-1-methyl-2-oxo-6-[(2,3,5-trimethylphenoxy)methyl]-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

V021-8786

Molecular Formula

C26H32N2O6 (C26 H32 N2 O6)

Compound Name

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

IUPAC name

ethyl 4-(23-dimethoxyphenyl)-1-methyl-2-oxo-6-[(235-trimethylphenoxy)methyl]-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cccc1OC)c1OC)N1)=C(COc2c(C)c(C)cc(C)c2)N(C)C1=O)=O

InChI

InChI=1S/C26H32N2O6/c1-8-33-25(29)22-19(14-34-21-13-15(2)12-16(3)17(21)4)28(5)26(30)27-23(22)18-10-9-11-20(31-6)24(18)32-7/h9-13,23H,8,14H2,1-7H3,(H,27,30)/t23-/m1/s1

InChI Key

YOCMAUHPFFKCCJ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19832661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.764

Distribution Coefficient, logD

4.763

Water Solubility, LogSw

-4.49

Polar Surface Area

71.452

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

-4.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

V021-8786 in Drug Discovery

Included in Screening Libraries

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V021-8786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-8786?
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What is the minimum amount of V021-8786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-8786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-8786
  • 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 V021-8786 available by request