V026-8229 Screening compound: N-benzyl-4-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-methylbenzamide

V026-8229 Screening compound: N-benzyl-4-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-methylbenzamide
V026-8229 Screening compound: N-benzyl-4-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-8229
N-benzyl-4-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-methylbenzamide

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

V026-8229

Molecular Formula

C35H42N4O3S (C35 H42 N4 O3 S)

Compound Name

N-benzyl-4-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-methylbenzamide

IUPAC name

N-benzyl-4-{[(4-tert-butyl-6-{[2-(34-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-methylbenzamide

SMILES

CC(C)(C)c1nc(SCc(cc2)ccc2C(N(C)Cc2ccccc2)=O)nc(N(C)CCc(cc2)cc(OC)c2OC)c1

InChI

InChI=1S/C35H42N4O3S/c1-35(2,3)31-22-32(38(4)20-19-25-15-18-29(41-6)30(21-25)42-7)37-34(36-31)43-24-27-13-16-28(17-14-27)33(40)39(5)23-26-11-9-8-10-12-26/h8-18,21-22H,19-20,23-24H2,1-7H3

InChI Key

SEDFAWRYYTWWQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19829897

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

598.81

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.714

Distribution Coefficient, logD

6.707

Water Solubility, LogSw

-5.66

Polar Surface Area

51.068

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.30

V026-8229 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V026-8229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-8229?
Check Price and Availability of V026-8229, 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 V026-8229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-8229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-8229
  • 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 V026-8229 available by request