V009-8239 Screening compound: 2-methylpropyl 1-ethyl-4-[4-(4-hexylbenzamido)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V009-8239 Screening compound: 2-methylpropyl 1-ethyl-4-[4-(4-hexylbenzamido)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V009-8239 Screening compound: 2-methylpropyl 1-ethyl-4-[4-(4-hexylbenzamido)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-8239
2-methylpropyl 1-ethyl-4-[4-(4-hexylbenzamido)phenyl]-6-methyl-2-sulfanylidene-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

V009-8239

Molecular Formula

C31H41N3O3S (C31 H41 N3 O3 S)

Compound Name

2-methylpropyl 1-ethyl-4-[4-(4-hexylbenzamido)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

2-methylpropyl 1-ethyl-4-[4-(4-hexylbenzamido)phenyl]-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCCCCCc(cc1)ccc1C(Nc1ccc(C(C(C(OCC(C)C)=O)=C(C)N2CC)NC2=S)cc1)=O

InChI

InChI=1S/C31H41N3O3S/c1-6-8-9-10-11-23-12-14-25(15-13-23)29(35)32-26-18-16-24(17-19-26)28-27(30(36)37-20-21(3)4)22(5)34(7-2)31(38)33-28/h12-19,21,28H,6-11,20H2,1-5H3,(H,32,35)(H,33,38)/t28-/m1/s1

InChI Key

AYALCILTHRDOJH-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD19726253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.590

Distribution Coefficient, logD

7.590

Water Solubility, LogSw

-5.64

Polar Surface Area

58.692

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.20

References: we are preparing a list of scientific research reports with V009-8239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-8239?
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What is the minimum amount of V009-8239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-8239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-8239
  • 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 V009-8239 available by request