V020-7199 Screening compound: 1-{2-[1-(3-chlorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-3-ethyl-1-(2-methylpropyl)urea

V020-7199 Screening compound: 1-{2-[1-(3-chlorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-3-ethyl-1-(2-methylpropyl)urea
V020-7199 Screening compound: 1-{2-[1-(3-chlorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-3-ethyl-1-(2-methylpropyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-7199
1-{2-[1-(3-chlorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-3-ethyl-1-(2-methylpropyl)urea

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

V020-7199

Molecular Formula

C22H29ClN4O2 (C22 H29 ClN4 O2)

Compound Name

1-{2-[1-(3-chlorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-3-ethyl-1-(2-methylpropyl)urea

IUPAC name

1-{2-[1-(3-chlorophenyl)-1H2H3H4H-pyrrolo[12-a]pyrazin-2-yl]-2-oxoethyl}-3-ethyl-1-(2-methylpropyl)urea

SMILES

CCNC(N(CC(C)C)CC(N(CCn1c2ccc1)C2c1cccc(Cl)c1)=O)=O

InChI

InChI=1S/C22H29ClN4O2/c1-4-24-22(29)26(14-16(2)3)15-20(28)27-12-11-25-10-6-9-19(25)21(27)17-7-5-8-18(23)13-17/h5-10,13,16,21H,4,11-12,14-15H2,1-3H3,(H,24,29)/t21-/m1/s1

InChI Key

NILJVRNPUFRMNY-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19792354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.007

Distribution Coefficient, logD

4.007

Water Solubility, LogSw

-4.36

Polar Surface Area

44.356

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

V020-7199 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V020-7199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-7199?
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What is the minimum amount of V020-7199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-7199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-7199
  • 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 V020-7199 available by request