V026-3398 Screening compound: ethyl 1-{4-[({4-[benzyl(methyl)amino]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate

V026-3398 Screening compound: ethyl 1-{4-[({4-[benzyl(methyl)amino]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
V026-3398 Screening compound: ethyl 1-{4-[({4-[benzyl(methyl)amino]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-3398
ethyl 1-{4-[({4-[benzyl(methyl)amino]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-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

V026-3398

Molecular Formula

C31H38N4O3S (C31 H38 N4 O3 S)

Compound Name

ethyl 1-{4-[({4-[benzyl(methyl)amino]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate

IUPAC name

ethyl 1-{4-[({4-[benzyl(methyl)amino]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c1ccc(CSc2nc(N(C)Cc3ccccc3)cc(C(C)C)n2)cc1)=O)=O

InChI

InChI=1S/C31H38N4O3S/c1-5-38-30(37)26-12-9-17-35(20-26)29(36)25-15-13-24(14-16-25)21-39-31-32-27(22(2)3)18-28(33-31)34(4)19-23-10-7-6-8-11-23/h6-8,10-11,13-16,18,22,26H,5,9,12,17,19-21H2,1-4H3/t26-/m0/s1

InChI Key

RBMAMVCZQGCABO-SANMLTNESA-N

MDL Number (MFCD)

MFCD19824973

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

546.73

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.919

Distribution Coefficient, logD

5.865

Water Solubility, LogSw

-5.40

Polar Surface Area

57.014

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

6.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.90

V026-3398 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V026-3398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-3398?
Check Price and Availability of V026-3398, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V026-3398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-3398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-3398
  • 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 V026-3398 available by request