V029-1697 Screening compound: 2-(butan-2-yl)-4-(methoxymethyl)-5-[(3-methylphenyl)methyl]-6-[4-(propane-1-sulfonyl)piperazin-1-yl]pyrimidine

V029-1697 Screening compound: 2-(butan-2-yl)-4-(methoxymethyl)-5-[(3-methylphenyl)methyl]-6-[4-(propane-1-sulfonyl)piperazin-1-yl]pyrimidine
V029-1697 Screening compound: 2-(butan-2-yl)-4-(methoxymethyl)-5-[(3-methylphenyl)methyl]-6-[4-(propane-1-sulfonyl)piperazin-1-yl]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-1697
2-(butan-2-yl)-4-(methoxymethyl)-5-[(3-methylphenyl)methyl]-6-[4-(propane-1-sulfonyl)piperazin-1-yl]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

V029-1697

Molecular Formula

C25H38N4O3S (C25 H38 N4 O3 S)

Compound Name

2-(butan-2-yl)-4-(methoxymethyl)-5-[(3-methylphenyl)methyl]-6-[4-(propane-1-sulfonyl)piperazin-1-yl]pyrimidine

IUPAC name

2-(butan-2-yl)-4-(methoxymethyl)-5-[(3-methylphenyl)methyl]-6-[4-(propane-1-sulfonyl)piperazin-1-yl]pyrimidine

SMILES

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

InChI

InChI=1S/C25H38N4O3S/c1-6-15-33(30,31)29-13-11-28(12-14-29)25-22(17-21-10-8-9-19(3)16-21)23(18-32-5)26-24(27-25)20(4)7-2/h8-10,16,20H,6-7,11-15,17-18H2,1-5H3/t20-/m0/s1

InChI Key

LNGOGWUPVCNYOP-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19786124

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

474.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.326

Distribution Coefficient, logD

5.206

Water Solubility, LogSw

-5.38

Polar Surface Area

63.298

Acid Dissociation Constant (pKa)

20.84

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

V029-1697 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V029-1697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-1697?
Check Price and Availability of V029-1697, 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 V029-1697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-1697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-1697
  • 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 V029-1697 available by request