V004-1231 Screening compound: 1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-(3-nitrophenyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

V004-1231 Screening compound: 1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-(3-nitrophenyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
V004-1231 Screening compound: 1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-(3-nitrophenyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-1231
1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-(3-nitrophenyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

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

V004-1231

Molecular Formula

C22H23N5O5 (C22 H23 N5 O5)

Compound Name

1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-(3-nitrophenyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-(3-nitrophenyl)-1234-tetrahydroquinazoline-24-dione

SMILES

CCN(CC1)CCN1C(CN(c(cccc1)c1C(N1c2cccc([N+]([O-])=O)c2)=O)C1=O)=O

InChI

InChI=1S/C22H23N5O5/c1-2-23-10-12-24(13-11-23)20(28)15-25-19-9-4-3-8-18(19)21(29)26(22(25)30)16-6-5-7-17(14-16)27(31)32/h3-9,14H,2,10-13,15H2,1H3

InChI Key

OQAMHEGKVNYRPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19794142

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

437.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.868

Distribution Coefficient, logD

0.692

Water Solubility, LogSw

-2.45

Polar Surface Area

83.966

Acid Dissociation Constant (pKa)

23.70

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with V004-1231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-1231?
Check Price and Availability of V004-1231, 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 V004-1231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-1231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-1231
  • 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 V004-1231 available by request