V017-6468 Screening compound: N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-5-({1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)pentanamide

V017-6468 Screening compound: N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-5-({1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)pentanamide
V017-6468 Screening compound: N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-5-({1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-6468
N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-5-({1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)pentanamide

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

V017-6468

Molecular Formula

C39H57N3O3S (C39 H57 N3 O3 S)

Compound Name

N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-5-({1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)pentanamide

IUPAC name

n/a

SMILES

CCC(C)(C)c(cc1)cc(C(C)(C)CC)c1OCCCCNC(CCCCSC(N1C)=NC(C)=C(Cc2cc(C)ccc2)C1=O)=O

InChI

InChI=1S/C39H57N3O3S/c1-10-38(5,6)31-20-21-34(33(27-31)39(7,8)11-2)45-23-14-13-22-40-35(43)19-12-15-24-46-37-41-29(4)32(36(44)42(37)9)26-30-18-16-17-28(3)25-30/h16-18,20-21,25,27H,10-15,19,22-24,26H2,1-9H3,(H,40,43)

InChI Key

PSKVMGNLSMPCMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14238635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

647.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

19.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.724

Distribution Coefficient, logD

8.724

Water Solubility, LogSw

-5.61

Polar Surface Area

57.006

Acid Dissociation Constant (pKa)

14.86

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.40

References: we are preparing a list of scientific research reports with V017-6468 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V017-6468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-6468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-6468
  • 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 V017-6468 available by request