C200-0976 Screening compound: 7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3-phenyl-1,2,3,4-tetrahydroquinazoline-2,4-dione

C200-0976 Screening compound: 7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3-phenyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
C200-0976 Screening compound: 7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3-phenyl-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-0976
7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3-phenyl-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

C200-0976

Molecular Formula

C25H21N5O5 (C25 H21 N5 O5)

Compound Name

7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3-phenyl-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3-phenyl-1234-tetrahydroquinazoline-24-dione

SMILES

[O-][N+](c(cc1)ccc1N(CC1)CCN1C(c(cc1)cc(NC(N2c3ccccc3)=O)c1C2=O)=O)=O

InChI

InChI=1S/C25H21N5O5/c31-23(28-14-12-27(13-15-28)18-7-9-20(10-8-18)30(34)35)17-6-11-21-22(16-17)26-25(33)29(24(21)32)19-4-2-1-3-5-19/h1-11,16H,12-15H2,(H,26,33)

InChI Key

GSDLLGNICKSBBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.852

Distribution Coefficient, logD

2.851

Water Solubility, LogSw

-3.64

Polar Surface Area

93.159

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

C200-0976 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C200-0976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-0976?
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What is the minimum amount of C200-0976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-0976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-0976
  • 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 C200-0976 available by request