V016-9123 Screening compound: ethyl 6-[(4-acetylpiperazin-1-yl)methyl]-2-oxo-1-(prop-2-en-1-yl)-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V016-9123 Screening compound: ethyl 6-[(4-acetylpiperazin-1-yl)methyl]-2-oxo-1-(prop-2-en-1-yl)-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V016-9123 Screening compound: ethyl 6-[(4-acetylpiperazin-1-yl)methyl]-2-oxo-1-(prop-2-en-1-yl)-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-9123
ethyl 6-[(4-acetylpiperazin-1-yl)methyl]-2-oxo-1-(prop-2-en-1-yl)-4-(thiophen-3-yl)-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

V016-9123

Molecular Formula

C21H28N4O4S (C21 H28 N4 O4 S)

Compound Name

ethyl 6-[(4-acetylpiperazin-1-yl)methyl]-2-oxo-1-(prop-2-en-1-yl)-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 6-[(4-acetylpiperazin-1-yl)methyl]-2-oxo-1-(prop-2-en-1-yl)-4-(thiophen-3-yl)-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1cscc1)N1)=C(CN(CC2)CCN2C(C)=O)N(CC=C)C1=O)=O

InChI

InChI=1S/C21H28N4O4S/c1-4-7-25-17(13-23-8-10-24(11-9-23)15(3)26)18(20(27)29-5-2)19(22-21(25)28)16-6-12-30-14-16/h4,6,12,14,19H,1,5,7-11,13H2,2-3H3,(H,22,28)/t19-/m0/s1

InChI Key

VOJLDWMIMDWDEV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19809421

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

432.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.646

Distribution Coefficient, logD

1.194

Water Solubility, LogSw

-2.45

Polar Surface Area

70.949

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

7.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with V016-9123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-9123?
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What is the minimum amount of V016-9123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-9123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-9123
  • 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 V016-9123 available by request