V028-2290 Screening compound: ethyl 4-(2,3-dimethoxyphenyl)-6-{[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V028-2290 Screening compound: ethyl 4-(2,3-dimethoxyphenyl)-6-{[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V028-2290 Screening compound: ethyl 4-(2,3-dimethoxyphenyl)-6-{[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-2290
ethyl 4-(2,3-dimethoxyphenyl)-6-{[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-1-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

V028-2290

Molecular Formula

C29H35FN4O6 (C29 H35 FN4 O6)

Compound Name

ethyl 4-(2,3-dimethoxyphenyl)-6-{[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-(23-dimethoxyphenyl)-6-{[4-(2-fluorobenzoyl)-14-diazepan-1-yl]methyl}-1-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cccc1OC)c1OC)N1)=C(CN(CCC2)CCN2C(c(cccc2)c2F)=O)N(C)C1=O)=O

InChI

InChI=1S/C29H35FN4O6/c1-5-40-28(36)24-22(32(2)29(37)31-25(24)20-11-8-13-23(38-3)26(20)39-4)18-33-14-9-15-34(17-16-33)27(35)19-10-6-7-12-21(19)30/h6-8,10-13,25H,5,9,14-18H2,1-4H3,(H,31,37)/t25-/m1/s1

InChI Key

ADPSWXAMMKHZPE-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19813170

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

554.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.597

Distribution Coefficient, logD

1.210

Water Solubility, LogSw

-3.17

Polar Surface Area

84.657

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

8.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.40

V028-2290 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V028-2290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-2290?
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What is the minimum amount of V028-2290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-2290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-2290
  • 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 V028-2290 available by request