V018-5828 Screening compound: N-{2-[1-(2-chlorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-N-ethylcyclopropanecarboxamide

V018-5828 Screening compound: N-{2-[1-(2-chlorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-N-ethylcyclopropanecarboxamide
V018-5828 Screening compound: N-{2-[1-(2-chlorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-N-ethylcyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-5828
N-{2-[1-(2-chlorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-N-ethylcyclopropanecarboxamide

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

V018-5828

Molecular Formula

C21H24ClN3O2 (C21 H24 ClN3 O2)

Compound Name

N-{2-[1-(2-chlorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-N-ethylcyclopropanecarboxamide

IUPAC name

N-{2-[1-(2-chlorophenyl)-1H2H3H4H-pyrrolo[12-a]pyrazin-2-yl]-2-oxoethyl}-N-ethylcyclopropanecarboxamide

SMILES

CCN(CC(N(CCn1c2ccc1)C2c(cccc1)c1Cl)=O)C(C1CC1)=O

InChI

InChI=1S/C21H24ClN3O2/c1-2-23(21(27)15-9-10-15)14-19(26)25-13-12-24-11-5-8-18(24)20(25)16-6-3-4-7-17(16)22/h3-8,11,15,20H,2,9-10,12-14H2,1H3/t20-/m1/s1

InChI Key

XKYIACAKZHTIKY-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19790911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.482

Distribution Coefficient, logD

3.482

Water Solubility, LogSw

-3.50

Polar Surface Area

34.564

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

V018-5828 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V018-5828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-5828?
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What is the minimum amount of V018-5828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-5828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-5828
  • 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 V018-5828 available by request