V003-2107 Screening compound: ethyl 1-[3-({[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate

V003-2107 Screening compound: ethyl 1-[3-({[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate
V003-2107 Screening compound: ethyl 1-[3-({[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-2107
ethyl 1-[3-({[4-tert-butyl-6-(diethylamino)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

V003-2107

Molecular Formula

C28H40N4O3S (C28 H40 N4 O3 S)

Compound Name

ethyl 1-[3-({[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[3-({[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate

SMILES

CCN(CC)c1cc(C(C)(C)C)nc(SCc2cc(C(N(CCC3)CC3C(OCC)=O)=O)ccc2)n1

InChI

InChI=1S/C28H40N4O3S/c1-7-31(8-2)24-17-23(28(4,5)6)29-27(30-24)36-19-20-12-10-13-21(16-20)25(33)32-15-11-14-22(18-32)26(34)35-9-3/h10,12-13,16-17,22H,7-9,11,14-15,18-19H2,1-6H3/t22-/m0/s1

InChI Key

MVSDDZINGPTXEI-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19832835

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

512.72

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

5.754

Distribution Coefficient, logD

5.753

Water Solubility, LogSw

-5.41

Polar Surface Area

56.795

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

References: we are preparing a list of scientific research reports with V003-2107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-2107?
Check Price and Availability of V003-2107, 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 V003-2107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-2107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-2107
  • 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 V003-2107 available by request