V019-3764 Screening compound: ethyl 4-(4-chlorophenyl)-1-ethyl-6-{[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V019-3764 Screening compound: ethyl 4-(4-chlorophenyl)-1-ethyl-6-{[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V019-3764 Screening compound: ethyl 4-(4-chlorophenyl)-1-ethyl-6-{[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-3764
ethyl 4-(4-chlorophenyl)-1-ethyl-6-{[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]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

V019-3764

Molecular Formula

C26H31ClN4O5 (C26 H31 ClN4 O5)

Compound Name

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

IUPAC name

ethyl 4-(4-chlorophenyl)-1-ethyl-6-{[4-(furan-2-carbonyl)-14-diazepan-1-yl]methyl}-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(C(CN(CCC1)CCN1C(c1ccco1)=O)=C(C(c(cc1)ccc1Cl)N1)C(OCC)=O)C1=O

InChI

InChI=1S/C26H31ClN4O5/c1-3-31-20(17-29-12-6-13-30(15-14-29)24(32)21-7-5-16-36-21)22(25(33)35-4-2)23(28-26(31)34)18-8-10-19(27)11-9-18/h5,7-11,16,23H,3-4,6,12-15,17H2,1-2H3,(H,28,34)/t23-/m0/s1

InChI Key

HCNKJBGLPDSIRA-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19813163

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

515.01

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.084

Distribution Coefficient, logD

1.510

Water Solubility, LogSw

-3.82

Polar Surface Area

77.847

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

8.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

References: we are preparing a list of scientific research reports with V019-3764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-3764?
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What is the minimum amount of V019-3764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-3764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-3764
  • 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 V019-3764 available by request