V006-9948 Screening compound: 1-(2-fluorophenyl)-3-{2-[1-(4-fluorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-3-(2-methoxyethyl)urea

V006-9948 Screening compound: 1-(2-fluorophenyl)-3-{2-[1-(4-fluorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-3-(2-methoxyethyl)urea
V006-9948 Screening compound: 1-(2-fluorophenyl)-3-{2-[1-(4-fluorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-3-(2-methoxyethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-9948
1-(2-fluorophenyl)-3-{2-[1-(4-fluorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-3-(2-methoxyethyl)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

V006-9948

Molecular Formula

C25H26F2N4O3 (C25 H26 F2 N4 O3)

Compound Name

1-(2-fluorophenyl)-3-{2-[1-(4-fluorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-3-(2-methoxyethyl)urea

IUPAC name

1-(2-fluorophenyl)-3-{2-[1-(4-fluorophenyl)-1H2H3H4H-pyrrolo[12-a]pyrazin-2-yl]-2-oxoethyl}-3-(2-methoxyethyl)urea

SMILES

COCCN(CC(N(CCn1c2ccc1)C2c(cc1)ccc1F)=O)C(Nc(cccc1)c1F)=O

InChI

InChI=1S/C25H26F2N4O3/c1-34-16-15-30(25(33)28-21-6-3-2-5-20(21)27)17-23(32)31-14-13-29-12-4-7-22(29)24(31)18-8-10-19(26)11-9-18/h2-12,24H,13-17H2,1H3,(H,28,33)/t24-/m1/s1

InChI Key

OSRPXWYEJMDKJV-XMMPIXPASA-N

MDL Number (MFCD)

MFCD14431442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.646

Distribution Coefficient, logD

3.646

Water Solubility, LogSw

-3.64

Polar Surface Area

50.760

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with V006-9948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-9948?
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What is the minimum amount of V006-9948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-9948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-9948
  • 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 V006-9948 available by request