V008-9476 Screening compound: ethyl 4-(4-tert-butylphenyl)-1-methyl-6-{[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V008-9476 Screening compound: ethyl 4-(4-tert-butylphenyl)-1-methyl-6-{[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V008-9476 Screening compound: ethyl 4-(4-tert-butylphenyl)-1-methyl-6-{[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-9476
ethyl 4-(4-tert-butylphenyl)-1-methyl-6-{[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-2-oxo-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

V008-9476

Molecular Formula

C29H38N4O4S (C29 H38 N4 O4 S)

Compound Name

ethyl 4-(4-tert-butylphenyl)-1-methyl-6-{[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-(4-tert-butylphenyl)-1-methyl-6-{[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1ccc(C(C)(C)C)cc1)N1)=C(CN(CC2)CC(C)N2C(c2cccs2)=O)N(C)C1=O)=O

InChI

InChI=1S/C29H38N4O4S/c1-7-37-27(35)24-22(18-32-14-15-33(19(2)17-32)26(34)23-9-8-16-38-23)31(6)28(36)30-25(24)20-10-12-21(13-11-20)29(3,4)5/h8-13,16,19,25H,7,14-15,17-18H2,1-6H3,(H,30,36)

InChI Key

OCYNJQIYAHATDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19811371

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

538.71

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

4.590

Distribution Coefficient, logD

4.089

Water Solubility, LogSw

-4.13

Polar Surface Area

69.215

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

7.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.30

References: we are preparing a list of scientific research reports with V008-9476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-9476?
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What is the minimum amount of V008-9476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-9476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-9476
  • 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 V008-9476 available by request