V019-5584 Screening compound: ethyl 6-{[4-(ethylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V019-5584 Screening compound: ethyl 6-{[4-(ethylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V019-5584 Screening compound: ethyl 6-{[4-(ethylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-5584
ethyl 6-{[4-(ethylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1-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

V019-5584

Molecular Formula

C29H37N5O5 (C29 H37 N5 O5)

Compound Name

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

IUPAC name

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

SMILES

CCNC(N1CCN(CC(N(C)C(NC2c3cc(Oc4ccccc4)ccc3)=O)=C2C(OCC)=O)CCC1)=O

InChI

InChI=1S/C29H37N5O5/c1-4-30-28(36)34-16-10-15-33(17-18-34)20-24-25(27(35)38-5-2)26(31-29(37)32(24)3)21-11-9-14-23(19-21)39-22-12-7-6-8-13-22/h6-9,11-14,19,26H,4-5,10,15-18,20H2,1-3H3,(H,30,36)(H,31,37)/t26-/m1/s1

InChI Key

PCNNBEKVNWRRPP-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19816076

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

535.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.224

Distribution Coefficient, logD

-0.613

Water Solubility, LogSw

-3.58

Polar Surface Area

86.098

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

9.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.40

References: we are preparing a list of scientific research reports with V019-5584 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-5584?
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What is the minimum amount of V019-5584 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-5584
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-5584
  • 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 V019-5584 available by request