V013-1253 Screening compound: 4-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide

V013-1253 Screening compound: 4-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
V013-1253 Screening compound: 4-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-1253
4-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide

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

V013-1253

Molecular Formula

C24H33N5O2S (C24 H33 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCc1nc(SCc(cc2)ccc2C(NCC(C)C)=O)nc(N(CC2)CCN2C(C)=O)c1

InChI

InChI=1S/C24H33N5O2S/c1-5-21-14-22(29-12-10-28(11-13-29)18(4)30)27-24(26-21)32-16-19-6-8-20(9-7-19)23(31)25-15-17(2)3/h6-9,14,17H,5,10-13,15-16H2,1-4H3,(H,25,31)

InChI Key

YKNGLUZHIHJPJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19817848

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

455.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.860

Distribution Coefficient, logD

3.860

Water Solubility, LogSw

-3.90

Polar Surface Area

62.552

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with V013-1253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-1253?
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What is the minimum amount of V013-1253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-1253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-1253
  • 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 V013-1253 available by request