V029-5256 Screening compound: 3-({[4-(4-ethylpiperazino)-5,6-dimethyl-2-pyrimidinyl]sulfanyl}methyl)-N-isopropylbenzamide

V029-5256 Screening compound: 3-({[4-(4-ethylpiperazino)-5,6-dimethyl-2-pyrimidinyl]sulfanyl}methyl)-N-isopropylbenzamide
V029-5256 Screening compound: 3-({[4-(4-ethylpiperazino)-5,6-dimethyl-2-pyrimidinyl]sulfanyl}methyl)-N-isopropylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5256
3-({[4-(4-ethylpiperazino)-5,6-dimethyl-2-pyrimidinyl]sulfanyl}methyl)-N-isopropylbenzamide

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

V029-5256

Molecular Formula

C23H33N5OS (C23 H33 N5 OS)

Compound Name

3-({[4-(4-ethylpiperazino)-5,6-dimethyl-2-pyrimidinyl]sulfanyl}methyl)-N-isopropylbenzamide

IUPAC name

3-({[4-(4-ethylpiperazin-1-yl)-56-dimethylpyrimidin-2-yl]sulfanyl}methyl)-N-(propan-2-yl)benzamide

SMILES

CCN(CC1)CCN1c1c(C)c(C)nc(SCc2cc(C(NC(C)C)=O)ccc2)n1

InChI

InChI=1S/C23H33N5OS/c1-6-27-10-12-28(13-11-27)21-17(4)18(5)25-23(26-21)30-15-19-8-7-9-20(14-19)22(29)24-16(2)3/h7-9,14,16H,6,10-13,15H2,1-5H3,(H,24,29)

InChI Key

XYKKQJQNFYHJJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19829198

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

427.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.890

Distribution Coefficient, logD

2.565

Water Solubility, LogSw

-3.85

Polar Surface Area

48.418

Acid Dissociation Constant (pKa)

13.49

Base Dissociation Constant (pKb)

8.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.17

References: we are preparing a list of scientific research reports with V029-5256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5256?
Check Price and Availability of V029-5256, 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 V029-5256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5256
  • 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 V029-5256 available by request