V014-6019 Screening compound: ethyl 4-(4-isopropylphenyl)-1-methyl-2-oxo-6-({4-[(propylamino)carbonyl]-1,4-diazepan-1-yl}methyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

V014-6019 Screening compound: ethyl 4-(4-isopropylphenyl)-1-methyl-2-oxo-6-({4-[(propylamino)carbonyl]-1,4-diazepan-1-yl}methyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
V014-6019 Screening compound: ethyl 4-(4-isopropylphenyl)-1-methyl-2-oxo-6-({4-[(propylamino)carbonyl]-1,4-diazepan-1-yl}methyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-6019
ethyl 4-(4-isopropylphenyl)-1-methyl-2-oxo-6-({4-[(propylamino)carbonyl]-1,4-diazepan-1-yl}methyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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

V014-6019

Molecular Formula

C27H41N5O4 (C27 H41 N5 O4)

Compound Name

ethyl 4-(4-isopropylphenyl)-1-methyl-2-oxo-6-({4-[(propylamino)carbonyl]-1,4-diazepan-1-yl}methyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

ethyl 1-methyl-2-oxo-4-[4-(propan-2-yl)phenyl]-6-{[4-(propylcarbamoyl)-14-diazepan-1-yl]methyl}-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCCNC(N1CCN(CC(N(C)C(NC2c3ccc(C(C)C)cc3)=O)=C2C(OCC)=O)CCC1)=O

InChI

InChI=1S/C27H41N5O4/c1-6-13-28-26(34)32-15-8-14-31(16-17-32)18-22-23(25(33)36-7-2)24(29-27(35)30(22)5)21-11-9-20(10-12-21)19(3)4/h9-12,19,24H,6-8,13-18H2,1-5H3,(H,28,34)(H,29,35)/t24-/m1/s1

InChI Key

RVOPBVDJZBXAKS-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19811337

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

499.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.531

Distribution Coefficient, logD

-0.307

Water Solubility, LogSw

-3.44

Polar Surface Area

79.566

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

9.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.26

References: we are preparing a list of scientific research reports with V014-6019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-6019?
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What is the minimum amount of V014-6019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-6019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-6019
  • 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 V014-6019 available by request