V027-7504 Screening compound: 3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-ethylbenzamide

V027-7504 Screening compound: 3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-ethylbenzamide
V027-7504 Screening compound: 3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-ethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-7504
3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-ethylbenzamide

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

V027-7504

Molecular Formula

C22H29N5O2S (C22 H29 N5 O2 S)

Compound Name

3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-ethylbenzamide

IUPAC name

3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-ethylbenzamide

SMILES

CCc1nc(SCc2cc(C(NCC)=O)ccc2)nc(N(CC2)CCN2C(C)=O)c1

InChI

InChI=1S/C22H29N5O2S/c1-4-19-14-20(27-11-9-26(10-12-27)16(3)28)25-22(24-19)30-15-17-7-6-8-18(13-17)21(29)23-5-2/h6-8,13-14H,4-5,9-12,15H2,1-3H3,(H,23,29)

InChI Key

RUOGXTYVCDODMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19824996

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

427.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.206

Distribution Coefficient, logD

3.205

Water Solubility, LogSw

-3.32

Polar Surface Area

62.178

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with V027-7504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-7504?
Check Price and Availability of V027-7504, 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 V027-7504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-7504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-7504
  • 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 V027-7504 available by request