V020-2542 Screening compound: ethyl 6-({4-[(tert-butylamino)carbonyl]piperazino}methyl)-4-(3,4-dichlorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

V020-2542 Screening compound: ethyl 6-({4-[(tert-butylamino)carbonyl]piperazino}methyl)-4-(3,4-dichlorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
V020-2542 Screening compound: ethyl 6-({4-[(tert-butylamino)carbonyl]piperazino}methyl)-4-(3,4-dichlorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-2542
ethyl 6-({4-[(tert-butylamino)carbonyl]piperazino}methyl)-4-(3,4-dichlorophenyl)-1-methyl-2-oxo-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

V020-2542

Molecular Formula

C24H33Cl2N5O4 (C24 H33 Cl2 N5 O4)

Compound Name

ethyl 6-({4-[(tert-butylamino)carbonyl]piperazino}methyl)-4-(3,4-dichlorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

ethyl 6-{[4-(tert-butylcarbamoyl)piperazin-1-yl]methyl}-4-(34-dichlorophenyl)-1-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cc1)cc(Cl)c1Cl)N1)=C(CN(CC2)CCN2C(NC(C)(C)C)=O)N(C)C1=O)=O

InChI

InChI=1S/C24H33Cl2N5O4/c1-6-35-21(32)19-18(14-30-9-11-31(12-10-30)23(34)28-24(2,3)4)29(5)22(33)27-20(19)15-7-8-16(25)17(26)13-15/h7-8,13,20H,6,9-12,14H2,1-5H3,(H,27,33)(H,28,34)/t20-/m0/s1

InChI Key

YRJWDGVBYHOSSH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19814176

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

526.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.815

Distribution Coefficient, logD

1.623

Water Solubility, LogSw

-4.34

Polar Surface Area

78.217

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

8.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.17

References: we are preparing a list of scientific research reports with V020-2542 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V020-2542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-2542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-2542
  • 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 V020-2542 available by request