C260-2084 Screening compound: N-[(2-chlorophenyl)methyl]-5-(1-{[(3-methyl-1H-pyrazol-5-yl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)pentanamide

C260-2084 Screening compound: N-[(2-chlorophenyl)methyl]-5-(1-{[(3-methyl-1H-pyrazol-5-yl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)pentanamide
C260-2084 Screening compound: N-[(2-chlorophenyl)methyl]-5-(1-{[(3-methyl-1H-pyrazol-5-yl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-2084
N-[(2-chlorophenyl)methyl]-5-(1-{[(3-methyl-1H-pyrazol-5-yl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)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

C260-2084

Molecular Formula

C26H27ClN6O4 (C26 H27 ClN6 O4)

Compound Name

N-[(2-chlorophenyl)methyl]-5-(1-{[(3-methyl-1H-pyrazol-5-yl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)pentanamide

IUPAC name

N-[(2-chlorophenyl)methyl]-5-(1-{[(3-methyl-1H-pyrazol-5-yl)carbamoyl]methyl}-24-dioxo-1234-tetrahydroquinazolin-3-yl)pentanamide

SMILES

Cc1n[nH]c(NC(CN(c(cccc2)c2C(N2CCCCC(NCc(cccc3)c3Cl)=O)=O)C2=O)=O)c1

InChI

InChI=1S/C26H27ClN6O4/c1-17-14-22(31-30-17)29-24(35)16-33-21-11-5-3-9-19(21)25(36)32(26(33)37)13-7-6-12-23(34)28-15-18-8-2-4-10-20(18)27/h2-5,8-11,14H,6-7,12-13,15-16H2,1H3,(H,28,34)(H2,29,30,31,35)

InChI Key

JXEVVWJUKXKVPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.99

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.429

Distribution Coefficient, logD

2.429

Water Solubility, LogSw

-3.49

Polar Surface Area

102.001

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C260-2084 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C260-2084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2084?
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What is the minimum amount of C260-2084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2084
  • 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 C260-2084 available by request