V013-0511 Screening compound: 4-(2,4-dichlorophenyl)-1-ethyl-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

V013-0511 Screening compound: 4-(2,4-dichlorophenyl)-1-ethyl-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione
V013-0511 Screening compound: 4-(2,4-dichlorophenyl)-1-ethyl-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-0511
4-(2,4-dichlorophenyl)-1-ethyl-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

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

V013-0511

Molecular Formula

C22H27Cl2N5O3 (C22 H27 Cl2 N5 O3)

Compound Name

4-(2,4-dichlorophenyl)-1-ethyl-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

IUPAC name

4-(24-dichlorophenyl)-1-ethyl-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidine-25-dione

SMILES

CCN(CC1)CCN1C(CN(CC(N1CC)=C2C(c(ccc(Cl)c3)c3Cl)NC1=O)C2=O)=O

InChI

InChI=1S/C22H27Cl2N5O3/c1-3-26-7-9-27(10-8-26)18(30)13-28-12-17-19(21(28)31)20(25-22(32)29(17)4-2)15-6-5-14(23)11-16(15)24/h5-6,11,20H,3-4,7-10,12-13H2,1-2H3,(H,25,32)/t20-/m1/s1

InChI Key

BGONNEVEHBYFME-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19936724

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

480.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.094

Distribution Coefficient, logD

1.877

Water Solubility, LogSw

-3.17

Polar Surface Area

64.390

Acid Dissociation Constant (pKa)

8.41

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V013-0511 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V013-0511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-0511?
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What is the minimum amount of V013-0511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-0511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-0511
  • 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 V013-0511 available by request