V003-4587 Screening compound: 1-{4-[5-({[4-(4-ACETYLPIPERAZIN-1-YL)-6-(METHOXYMETHYL)PYRIMIDIN-2-YL]SULFANYL}METHYL)FURAN-2-CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE

V003-4587 Screening compound: 1-{4-[5-({[4-(4-ACETYLPIPERAZIN-1-YL)-6-(METHOXYMETHYL)PYRIMIDIN-2-YL]SULFANYL}METHYL)FURAN-2-CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE
V003-4587 Screening compound: 1-{4-[5-({[4-(4-ACETYLPIPERAZIN-1-YL)-6-(METHOXYMETHYL)PYRIMIDIN-2-YL]SULFANYL}METHYL)FURAN-2-CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4587
1-{4-[5-({[4-(4-ACETYLPIPERAZIN-1-YL)-6-(METHOXYMETHYL)PYRIMIDIN-2-YL]SULFANYL}METHYL)FURAN-2-CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE

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

V003-4587

Molecular Formula

C24H32N6O5S (C24 H32 N6 O5 S)

Compound Name

1-{4-[5-({[4-(4-ACETYLPIPERAZIN-1-YL)-6-(METHOXYMETHYL)PYRIMIDIN-2-YL]SULFANYL}METHYL)FURAN-2-CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE

IUPAC name

1-{4-[5-({[4-(4-acetylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one

SMILES

CC(N(CC1)CCN1C(c1ccc(CSc2nc(N(CC3)CCN3C(C)=O)cc(COC)n2)o1)=O)=O

InChI

InChI=1S/C24H32N6O5S/c1-17(31)27-6-10-29(11-7-27)22-14-19(15-34-3)25-24(26-22)36-16-20-4-5-21(35-20)23(33)30-12-8-28(9-13-30)18(2)32/h4-5,14H,6-13,15-16H2,1-3H3

InChI Key

ZLMCPOMKDWRMKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19822419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.778

Distribution Coefficient, logD

1.778

Water Solubility, LogSw

-2.30

Polar Surface Area

87.976

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

References: we are preparing a list of scientific research reports with V003-4587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4587?
Check Price and Availability of V003-4587, 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 V003-4587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4587
  • 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 V003-4587 available by request