V031-2271 Screening compound: ethyl 6-{[4-(tert-butylcarbamoyl)piperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V031-2271 Screening compound: ethyl 6-{[4-(tert-butylcarbamoyl)piperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V031-2271 Screening compound: ethyl 6-{[4-(tert-butylcarbamoyl)piperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2271
ethyl 6-{[4-(tert-butylcarbamoyl)piperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-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

V031-2271

Molecular Formula

C26H36F3N5O4 (C26 H36 F3 N5 O4)

Compound Name

ethyl 6-{[4-(tert-butylcarbamoyl)piperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

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

SMILES

CCN(C(CN(CC1)CCN1C(NC(C)(C)C)=O)=C(C(c1ccc(C(F)(F)F)cc1)N1)C(OCC)=O)C1=O

InChI

InChI=1S/C26H36F3N5O4/c1-6-34-19(16-32-12-14-33(15-13-32)24(37)31-25(3,4)5)20(22(35)38-7-2)21(30-23(34)36)17-8-10-18(11-9-17)26(27,28)29/h8-11,21H,6-7,12-16H2,1-5H3,(H,30,36)(H,31,37)/t21-/m0/s1

InChI Key

WAIXTLUKUQPGFU-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19809559

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

539.6

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

3.698

Distribution Coefficient, logD

1.633

Water Solubility, LogSw

-3.75

Polar Surface Area

78.176

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

9.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.70

References: we are preparing a list of scientific research reports with V031-2271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2271?
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What is the minimum amount of V031-2271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2271
  • 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 V031-2271 available by request