V026-5815 Screening compound: propan-2-yl 4-{4-[(cyclohexylcarbamoyl)amino]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V026-5815 Screening compound: propan-2-yl 4-{4-[(cyclohexylcarbamoyl)amino]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V026-5815 Screening compound: propan-2-yl 4-{4-[(cyclohexylcarbamoyl)amino]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-5815
propan-2-yl 4-{4-[(cyclohexylcarbamoyl)amino]phenyl}-1-ethyl-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

V026-5815

Molecular Formula

C24H34N4O3S (C24 H34 N4 O3 S)

Compound Name

propan-2-yl 4-{4-[(cyclohexylcarbamoyl)amino]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

propan-2-yl 4-{4-[(cyclohexylcarbamoyl)amino]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(C(C)=C(C(c(cc1)ccc1NC(NC1CCCCC1)=O)N1)C(OC(C)C)=O)C1=S

InChI

InChI=1S/C24H34N4O3S/c1-5-28-16(4)20(22(29)31-15(2)3)21(27-24(28)32)17-11-13-19(14-12-17)26-23(30)25-18-9-7-6-8-10-18/h11-15,18,21H,5-10H2,1-4H3,(H,27,32)(H2,25,26,30)/t21-/m1/s1

InChI Key

BIXSZBKWWVLDQI-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19726287

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

458.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.526

Distribution Coefficient, logD

4.526

Water Solubility, LogSw

-4.11

Polar Surface Area

68.255

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.20

References: we are preparing a list of scientific research reports with V026-5815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5815?
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What is the minimum amount of V026-5815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5815
  • 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 V026-5815 available by request