V007-2715 Screening compound: 4-({[4-(4-acetylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanyl}methyl)-N-benzylbenzamide

V007-2715 Screening compound: 4-({[4-(4-acetylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanyl}methyl)-N-benzylbenzamide
V007-2715 Screening compound: 4-({[4-(4-acetylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanyl}methyl)-N-benzylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-2715
4-({[4-(4-acetylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanyl}methyl)-N-benzylbenzamide

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

V007-2715

Molecular Formula

C27H31N5O2S (C27 H31 N5 O2 S)

Compound Name

4-({[4-(4-acetylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanyl}methyl)-N-benzylbenzamide

IUPAC name

4-({[4-(4-acetylpiperazin-1-yl)-56-dimethylpyrimidin-2-yl]sulfanyl}methyl)-N-benzylbenzamide

SMILES

CC(N(CC1)CCN1c1c(C)c(C)nc(SCc(cc2)ccc2C(NCc2ccccc2)=O)n1)=O

InChI

InChI=1S/C27H31N5O2S/c1-19-20(2)29-27(30-25(19)32-15-13-31(14-16-32)21(3)33)35-18-23-9-11-24(12-10-23)26(34)28-17-22-7-5-4-6-8-22/h4-12H,13-18H2,1-3H3,(H,28,34)

InChI Key

LRAYNMCVPJCLSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10460989

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

489.64

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

3.924

Distribution Coefficient, logD

3.922

Water Solubility, LogSw

-4.00

Polar Surface Area

62.831

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V007-2715 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V007-2715 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-2715?
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What is the minimum amount of V007-2715 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-2715
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-2715
  • 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 V007-2715 available by request