V016-9551 Screening compound: ethyl 6-{[4-(tert-butylcarbamoyl)piperazin-1-yl]methyl}-1-methyl-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V016-9551 Screening compound: ethyl 6-{[4-(tert-butylcarbamoyl)piperazin-1-yl]methyl}-1-methyl-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V016-9551 Screening compound: ethyl 6-{[4-(tert-butylcarbamoyl)piperazin-1-yl]methyl}-1-methyl-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-9551
ethyl 6-{[4-(tert-butylcarbamoyl)piperazin-1-yl]methyl}-1-methyl-2-oxo-4-[4-(propan-2-yl)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

V016-9551

Molecular Formula

C27H41N5O4 (C27 H41 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(c1ccc(C(C)C)cc1)N1)=C(CN(CC2)CCN2C(NC(C)(C)C)=O)N(C)C1=O)=O

InChI

InChI=1S/C27H41N5O4/c1-8-36-24(33)22-21(17-31-13-15-32(16-14-31)26(35)29-27(4,5)6)30(7)25(34)28-23(22)20-11-9-19(10-12-20)18(2)3/h9-12,18,23H,8,13-17H2,1-7H3,(H,28,34)(H,29,35)/t23-/m1/s1

InChI Key

UJGOVFYZKWGXSW-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19813870

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

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.587

Distribution Coefficient, logD

1.395

Water Solubility, LogSw

-3.46

Polar Surface Area

78.217

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

8.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.30

References: we are preparing a list of scientific research reports with V016-9551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-9551?
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What is the minimum amount of V016-9551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-9551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-9551
  • 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 V016-9551 available by request