V004-9434 Screening compound: isopropyl 1-ethyl-4-{4-[(2-ethylhexanoyl)amino]phenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

V004-9434 Screening compound: isopropyl 1-ethyl-4-{4-[(2-ethylhexanoyl)amino]phenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
V004-9434 Screening compound: isopropyl 1-ethyl-4-{4-[(2-ethylhexanoyl)amino]phenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-9434
isopropyl 1-ethyl-4-{4-[(2-ethylhexanoyl)amino]phenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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

V004-9434

Molecular Formula

C25H37N3O3S (C25 H37 N3 O3 S)

Compound Name

isopropyl 1-ethyl-4-{4-[(2-ethylhexanoyl)amino]phenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

propan-2-yl 1-ethyl-4-[4-(2-ethylhexanamido)phenyl]-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCCCC(CC)C(Nc1ccc(C(C(C(OC(C)C)=O)=C(C)N2CC)NC2=S)cc1)=O

InChI

InChI=1S/C25H37N3O3S/c1-7-10-11-18(8-2)23(29)26-20-14-12-19(13-15-20)22-21(24(30)31-16(4)5)17(6)28(9-3)25(32)27-22/h12-16,18,22H,7-11H2,1-6H3,(H,26,29)(H,27,32)

InChI Key

YNJNFCKDJACOFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19726214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.324

Distribution Coefficient, logD

5.324

Water Solubility, LogSw

-5.13

Polar Surface Area

58.267

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.00

References: we are preparing a list of scientific research reports with V004-9434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-9434?
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What is the minimum amount of V004-9434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-9434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-9434
  • 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 V004-9434 available by request