V021-8263 Screening compound: 4-anilino-2-(1,3-benzodioxol-5-yl)-N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-5-pyrimidinecarboxamide

V021-8263 Screening compound: 4-anilino-2-(1,3-benzodioxol-5-yl)-N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-5-pyrimidinecarboxamide
V021-8263 Screening compound: 4-anilino-2-(1,3-benzodioxol-5-yl)-N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-5-pyrimidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-8263
4-anilino-2-(1,3-benzodioxol-5-yl)-N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-5-pyrimidinecarboxamide

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

V021-8263

Molecular Formula

C25H27N5O3 (C25 H27 N5 O3)

Compound Name

4-anilino-2-(1,3-benzodioxol-5-yl)-N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-5-pyrimidinecarboxamide

IUPAC name

2-(2H-13-benzodioxol-5-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(phenylamino)pyrimidine-5-carboxamide

SMILES

CN1C(CCNC(c2c(Nc3ccccc3)nc(-c(cc3)cc4c3OCO4)nc2)=O)CCC1

InChI

InChI=1S/C25H27N5O3/c1-30-13-5-8-19(30)11-12-26-25(31)20-15-27-23(17-9-10-21-22(14-17)33-16-32-21)29-24(20)28-18-6-3-2-4-7-18/h2-4,6-7,9-10,14-15,19H,5,8,11-13,16H2,1H3,(H,26,31)(H,27,28,29)

InChI Key

PPFMNWISMORWTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19973522

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.514

Distribution Coefficient, logD

0.858

Water Solubility, LogSw

-3.67

Polar Surface Area

73.879

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

10.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

V021-8263 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Anticancer Library (62698 compounds)

Antiviral HBV Library (10007 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V021-8263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-8263?
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What is the minimum amount of V021-8263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-8263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-8263
  • 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 V021-8263 available by request