V004-1351 Screening compound: 3-tert-butyl-1-{2-[1-(3,4-dichlorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-1-ethylurea

V004-1351 Screening compound: 3-tert-butyl-1-{2-[1-(3,4-dichlorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-1-ethylurea
V004-1351 Screening compound: 3-tert-butyl-1-{2-[1-(3,4-dichlorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-1-ethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-1351
3-tert-butyl-1-{2-[1-(3,4-dichlorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-1-ethylurea

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

V004-1351

Molecular Formula

C22H28Cl2N4O2 (C22 H28 Cl2 N4 O2)

Compound Name

3-tert-butyl-1-{2-[1-(3,4-dichlorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-1-ethylurea

IUPAC name

3-tert-butyl-1-{2-[1-(34-dichlorophenyl)-1H2H3H4H-pyrrolo[12-a]pyrazin-2-yl]-2-oxoethyl}-1-ethylurea

SMILES

CCN(CC(N(CCn1c2ccc1)C2c(cc1)cc(Cl)c1Cl)=O)C(NC(C)(C)C)=O

InChI

InChI=1S/C22H28Cl2N4O2/c1-5-26(21(30)25-22(2,3)4)14-19(29)28-12-11-27-10-6-7-18(27)20(28)15-8-9-16(23)17(24)13-15/h6-10,13,20H,5,11-12,14H2,1-4H3,(H,25,30)/t20-/m1/s1

InChI Key

PLROZPAHUYYSJC-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19788586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.015

Distribution Coefficient, logD

5.015

Water Solubility, LogSw

-5.35

Polar Surface Area

43.279

Acid Dissociation Constant (pKa)

16.59

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

V004-1351 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V004-1351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-1351?
Check Price and Availability of V004-1351, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V004-1351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-1351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-1351
  • 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 V004-1351 available by request