V027-1195 Screening compound: ethyl 1-ethyl-6-{[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V027-1195 Screening compound: ethyl 1-ethyl-6-{[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V027-1195 Screening compound: ethyl 1-ethyl-6-{[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-1195
ethyl 1-ethyl-6-{[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-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

V027-1195

Molecular Formula

C35H40N4O6 (C35 H40 N4 O6)

Compound Name

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

IUPAC name

ethyl 1-ethyl-6-{[4-(3-methoxybenzoyl)-14-diazepan-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(C(CN(CCC1)CCN1C(c1cc(OC)ccc1)=O)=C(C(c1cc(Oc2ccccc2)ccc1)N1)C(OCC)=O)C1=O

InChI

InChI=1S/C35H40N4O6/c1-4-39-30(24-37-18-11-19-38(21-20-37)33(40)26-13-10-16-28(23-26)43-3)31(34(41)44-5-2)32(36-35(39)42)25-12-9-17-29(22-25)45-27-14-7-6-8-15-27/h6-10,12-17,22-23,32H,4-5,11,18-21,24H2,1-3H3,(H,36,42)/t32-/m1/s1

InChI Key

HSJFIZKYPVAJSL-JGCGQSQUSA-N

MDL Number (MFCD)

MFCD19819445

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

612.73

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.792

Distribution Coefficient, logD

3.527

Water Solubility, LogSw

-4.52

Polar Surface Area

83.560

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

8.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.30

V027-1195 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V027-1195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-1195?
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What is the minimum amount of V027-1195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-1195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-1195
  • 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 V027-1195 available by request