V008-9454 Screening compound: ethyl 4-(3,4-dichlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-6-({4-[(propan-2-yl)carbamoyl]piperazin-1-yl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V008-9454 Screening compound: ethyl 4-(3,4-dichlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-6-({4-[(propan-2-yl)carbamoyl]piperazin-1-yl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V008-9454 Screening compound: ethyl 4-(3,4-dichlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-6-({4-[(propan-2-yl)carbamoyl]piperazin-1-yl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-9454
ethyl 4-(3,4-dichlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-6-({4-[(propan-2-yl)carbamoyl]piperazin-1-yl}methyl)-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

V008-9454

Molecular Formula

C25H33Cl2N5O4 (C25 H33 Cl2 N5 O4)

Compound Name

ethyl 4-(3,4-dichlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-6-({4-[(propan-2-yl)carbamoyl]piperazin-1-yl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-(34-dichlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-6-({4-[(propan-2-yl)carbamoyl]piperazin-1-yl}methyl)-1234-tetrahydropyrimidine-5-carboxylate

SMILES

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

InChI

InChI=1S/C25H33Cl2N5O4/c1-5-9-32-20(15-30-10-12-31(13-11-30)24(34)28-16(3)4)21(23(33)36-6-2)22(29-25(32)35)17-7-8-18(26)19(27)14-17/h5,7-8,14,16,22H,1,6,9-13,15H2,2-4H3,(H,28,34)(H,29,35)/t22-/m0/s1

InChI Key

VCAHVOMWTPPSKD-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19816284

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

538.47

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

4.129

Distribution Coefficient, logD

2.185

Water Solubility, LogSw

-4.48

Polar Surface Area

78.580

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

7.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with V008-9454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-9454?
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What is the minimum amount of V008-9454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-9454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-9454
  • 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 V008-9454 available by request