C200-6525 Screening compound: 5-{1-[(4-bromo-2-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[(furan-2-yl)methyl]pentanamide

C200-6525 Screening compound: 5-{1-[(4-bromo-2-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[(furan-2-yl)methyl]pentanamide
C200-6525 Screening compound: 5-{1-[(4-bromo-2-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[(furan-2-yl)methyl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-6525
5-{1-[(4-bromo-2-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[(furan-2-yl)methyl]pentanamide

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

C200-6525

Molecular Formula

C25H23BrFN3O4 (C25 H23 BrFN3 O4)

Compound Name

5-{1-[(4-bromo-2-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[(furan-2-yl)methyl]pentanamide

IUPAC name

5-{1-[(4-bromo-2-fluorophenyl)methyl]-24-dioxo-1234-tetrahydroquinazolin-3-yl}-N-[(furan-2-yl)methyl]pentanamide

SMILES

O=C(CCCCN(C(c(cccc1)c1N1Cc(ccc(Br)c2)c2F)=O)C1=O)NCc1ccco1

InChI

InChI=1S/C25H23BrFN3O4/c26-18-11-10-17(21(27)14-18)16-30-22-8-2-1-7-20(22)24(32)29(25(30)33)12-4-3-9-23(31)28-15-19-6-5-13-34-19/h1-2,5-8,10-11,13-14H,3-4,9,12,15-16H2,(H,28,31)

InChI Key

FNBDZXDKGKJTED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.468

Distribution Coefficient, logD

4.468

Water Solubility, LogSw

-4.32

Polar Surface Area

63.465

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C200-6525 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C200-6525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-6525?
Check Price and Availability of C200-6525, 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 C200-6525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-6525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-6525
  • 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 C200-6525 available by request