C260-2941 Screening compound: 4-(1-{[(3-METHYL-1H-PYRAZOL-5-YL)CARBAMOYL]METHYL}-2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLIN-3-YL)-N-[(4-METHYLPHENYL)METHYL]BUTANAMIDE

C260-2941 Screening compound: 4-(1-{[(3-METHYL-1H-PYRAZOL-5-YL)CARBAMOYL]METHYL}-2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLIN-3-YL)-N-[(4-METHYLPHENYL)METHYL]BUTANAMIDE
C260-2941 Screening compound: 4-(1-{[(3-METHYL-1H-PYRAZOL-5-YL)CARBAMOYL]METHYL}-2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLIN-3-YL)-N-[(4-METHYLPHENYL)METHYL]BUTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-2941
4-(1-{[(3-METHYL-1H-PYRAZOL-5-YL)CARBAMOYL]METHYL}-2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLIN-3-YL)-N-[(4-METHYLPHENYL)METHYL]BUTANAMIDE

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

C260-2941

Molecular Formula

C26H28N6O4 (C26 H28 N6 O4)

Compound Name

4-(1-{[(3-METHYL-1H-PYRAZOL-5-YL)CARBAMOYL]METHYL}-2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLIN-3-YL)-N-[(4-METHYLPHENYL)METHYL]BUTANAMIDE

IUPAC name

n/a

SMILES

Cc1n[nH]c(NC(CN(c(cccc2)c2C(N2CCCC(NCc3ccc(C)cc3)=O)=O)C2=O)=O)c1

InChI

InChI=1S/C26H28N6O4/c1-17-9-11-19(12-10-17)15-27-23(33)8-5-13-31-25(35)20-6-3-4-7-21(20)32(26(31)36)16-24(34)28-22-14-18(2)29-30-22/h3-4,6-7,9-12,14H,5,8,13,15-16H2,1-2H3,(H,27,33)(H2,28,29,30,34)

InChI Key

NJMGCGMYHPNWSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.557

Distribution Coefficient, logD

1.556

Water Solubility, LogSw

-2.68

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

C260-2941 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C260-2941 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2941?
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What is the minimum amount of C260-2941 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2941
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2941
  • 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 C260-2941 available by request