V013-7820 Screening compound: 1,3-benzodioxol-5-yl{4-[5-(2,5-dimethylbenzyl)-2,6-dimethyl-4-pyrimidinyl]piperazino}methanone

V013-7820 Screening compound: 1,3-benzodioxol-5-yl{4-[5-(2,5-dimethylbenzyl)-2,6-dimethyl-4-pyrimidinyl]piperazino}methanone
V013-7820 Screening compound: 1,3-benzodioxol-5-yl{4-[5-(2,5-dimethylbenzyl)-2,6-dimethyl-4-pyrimidinyl]piperazino}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-7820
1,3-benzodioxol-5-yl{4-[5-(2,5-dimethylbenzyl)-2,6-dimethyl-4-pyrimidinyl]piperazino}methanone

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

V013-7820

Molecular Formula

C27H30N4O3 (C27 H30 N4 O3)

Compound Name

1,3-benzodioxol-5-yl{4-[5-(2,5-dimethylbenzyl)-2,6-dimethyl-4-pyrimidinyl]piperazino}methanone

IUPAC name

4-[4-(2H-13-benzodioxole-5-carbonyl)piperazin-1-yl]-5-[(25-dimethylphenyl)methyl]-26-dimethylpyrimidine

SMILES

Cc1cc(Cc2c(C)nc(C)nc2N(CC2)CCN2C(c(cc2)cc3c2OCO3)=O)c(C)cc1

InChI

InChI=1S/C27H30N4O3/c1-17-5-6-18(2)22(13-17)14-23-19(3)28-20(4)29-26(23)30-9-11-31(12-10-30)27(32)21-7-8-24-25(15-21)34-16-33-24/h5-8,13,15H,9-12,14,16H2,1-4H3

InChI Key

DNQPLWFOMYBAHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19850222

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

458.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.102

Distribution Coefficient, logD

4.744

Water Solubility, LogSw

-5.00

Polar Surface Area

55.685

Acid Dissociation Constant (pKa)

20.47

Base Dissociation Constant (pKb)

7.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.04

V013-7820 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V013-7820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-7820?
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What is the minimum amount of V013-7820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-7820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-7820
  • 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 V013-7820 available by request