V024-9029 Screening compound: 3-[({4-[benzyl(methyl)amino]-6-tert-butylpyrimidin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]benzamide

V024-9029 Screening compound: 3-[({4-[benzyl(methyl)amino]-6-tert-butylpyrimidin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]benzamide
V024-9029 Screening compound: 3-[({4-[benzyl(methyl)amino]-6-tert-butylpyrimidin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-9029
3-[({4-[benzyl(methyl)amino]-6-tert-butylpyrimidin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]benzamide

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

V024-9029

Molecular Formula

C29H36N4O2S (C29 H36 N4 O2 S)

Compound Name

3-[({4-[benzyl(methyl)amino]-6-tert-butylpyrimidin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]benzamide

IUPAC name

3-[({4-[benzyl(methyl)amino]-6-tert-butylpyrimidin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]benzamide

SMILES

CC(C)(C)c1nc(SCc2cc(C(NCC3OCCC3)=O)ccc2)nc(N(C)Cc2ccccc2)c1

InChI

InChI=1S/C29H36N4O2S/c1-29(2,3)25-17-26(33(4)19-21-10-6-5-7-11-21)32-28(31-25)36-20-22-12-8-13-23(16-22)27(34)30-18-24-14-9-15-35-24/h5-8,10-13,16-17,24H,9,14-15,18-20H2,1-4H3,(H,30,34)/t24-/m1/s1

InChI Key

BJJGFCQUHNSGGP-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19832844

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

504.7

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.757

Distribution Coefficient, logD

5.689

Water Solubility, LogSw

-5.38

Polar Surface Area

52.746

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

6.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.40

V024-9029 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V024-9029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-9029?
Check Price and Availability of V024-9029, 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 V024-9029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-9029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-9029
  • 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 V024-9029 available by request