V029-4990 Screening compound: 4-ethyl-2-(propan-2-yl)-6-[4-(propane-1-sulfonyl)piperazin-1-yl]-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidine

V029-4990 Screening compound: 4-ethyl-2-(propan-2-yl)-6-[4-(propane-1-sulfonyl)piperazin-1-yl]-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidine
V029-4990 Screening compound: 4-ethyl-2-(propan-2-yl)-6-[4-(propane-1-sulfonyl)piperazin-1-yl]-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-4990
4-ethyl-2-(propan-2-yl)-6-[4-(propane-1-sulfonyl)piperazin-1-yl]-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidine

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

V029-4990

Molecular Formula

C24H33F3N4O2S (C24 H33 F3 N4 O2 S)

Compound Name

4-ethyl-2-(propan-2-yl)-6-[4-(propane-1-sulfonyl)piperazin-1-yl]-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidine

IUPAC name

4-ethyl-2-(propan-2-yl)-6-[4-(propane-1-sulfonyl)piperazin-1-yl]-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidine

SMILES

CCCS(N(CC1)CCN1c1nc(C(C)C)nc(CC)c1Cc1cc(C(F)(F)F)ccc1)(=O)=O

InChI

InChI=1S/C24H33F3N4O2S/c1-5-14-34(32,33)31-12-10-30(11-13-31)23-20(21(6-2)28-22(29-23)17(3)4)16-18-8-7-9-19(15-18)24(25,26)27/h7-9,15,17H,5-6,10-14,16H2,1-4H3

InChI Key

UDUQCEDXZYDZCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19790414

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

498.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.693

Distribution Coefficient, logD

5.529

Water Solubility, LogSw

-5.64

Polar Surface Area

54.874

Acid Dissociation Constant (pKa)

21.42

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

V029-4990 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V029-4990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-4990?
Check Price and Availability of V029-4990, 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 V029-4990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-4990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-4990
  • 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 V029-4990 available by request