V003-3642 Screening compound: 2-(butan-2-yl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-5-[(3-methylphenyl)methyl]pyrimidine

V003-3642 Screening compound: 2-(butan-2-yl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-5-[(3-methylphenyl)methyl]pyrimidine
V003-3642 Screening compound: 2-(butan-2-yl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-5-[(3-methylphenyl)methyl]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3642
2-(butan-2-yl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-5-[(3-methylphenyl)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

V003-3642

Molecular Formula

C26H32N4O2 (C26 H32 N4 O2)

Compound Name

2-(butan-2-yl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-5-[(3-methylphenyl)methyl]pyrimidine

IUPAC name

2-(butan-2-yl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-5-[(3-methylphenyl)methyl]pyrimidine

SMILES

CCC(C)c1nc(C)c(Cc2cc(C)ccc2)c(N(CC2)CCN2C(c2ccco2)=O)n1

InChI

InChI=1S/C26H32N4O2/c1-5-19(3)24-27-20(4)22(17-21-9-6-8-18(2)16-21)25(28-24)29-11-13-30(14-12-29)26(31)23-10-7-15-32-23/h6-10,15-16,19H,5,11-14,17H2,1-4H3/t19-/m0/s1

InChI Key

XTOBAFCQBMFVBD-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19786340

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

432.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.748

Distribution Coefficient, logD

5.581

Water Solubility, LogSw

-5.37

Polar Surface Area

47.535

Acid Dissociation Constant (pKa)

20.84

Base Dissociation Constant (pKb)

7.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.31

V003-3642 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V003-3642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3642?
Check Price and Availability of V003-3642, 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 V003-3642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3642
  • 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 V003-3642 available by request