V005-9370 Screening compound: 1-(3-chloro-4-methylphenyl)-3-{2-oxo-2-[1-(3-phenoxyphenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl}-3-propylurea

V005-9370 Screening compound: 1-(3-chloro-4-methylphenyl)-3-{2-oxo-2-[1-(3-phenoxyphenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl}-3-propylurea
V005-9370 Screening compound: 1-(3-chloro-4-methylphenyl)-3-{2-oxo-2-[1-(3-phenoxyphenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl}-3-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-9370
1-(3-chloro-4-methylphenyl)-3-{2-oxo-2-[1-(3-phenoxyphenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl}-3-propylurea

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

V005-9370

Molecular Formula

C32H33ClN4O3 (C32 H33 ClN4 O3)

Compound Name

1-(3-chloro-4-methylphenyl)-3-{2-oxo-2-[1-(3-phenoxyphenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl}-3-propylurea

IUPAC name

1-(3-chloro-4-methylphenyl)-3-{2-oxo-2-[1-(3-phenoxyphenyl)-1H2H3H4H-pyrrolo[12-a]pyrazin-2-yl]ethyl}-3-propylurea

SMILES

CCCN(CC(N(CCn1c2ccc1)C2c1cc(Oc2ccccc2)ccc1)=O)C(Nc1cc(Cl)c(C)cc1)=O

InChI

InChI=1S/C32H33ClN4O3/c1-3-16-36(32(39)34-25-15-14-23(2)28(33)21-25)22-30(38)37-19-18-35-17-8-13-29(35)31(37)24-9-7-12-27(20-24)40-26-10-5-4-6-11-26/h4-15,17,20-21,31H,3,16,18-19,22H2,1-2H3,(H,34,39)/t31-/m1/s1

InChI Key

AUCBCXYJDGXDPA-WJOKGBTCSA-N

MDL Number (MFCD)

MFCD19776523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.09

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.352

Distribution Coefficient, logD

7.352

Water Solubility, LogSw

-6.36

Polar Surface Area

49.863

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

V005-9370 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V005-9370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-9370?
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What is the minimum amount of V005-9370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-9370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-9370
  • 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 V005-9370 available by request