C260-2379 Screening compound: 4-[(1-{[(5-methyl-1H-pyrazol-3-yl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide

C260-2379 Screening compound: 4-[(1-{[(5-methyl-1H-pyrazol-3-yl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide
C260-2379 Screening compound: 4-[(1-{[(5-methyl-1H-pyrazol-3-yl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-2379
4-[(1-{[(5-methyl-1H-pyrazol-3-yl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide

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

C260-2379

Molecular Formula

C30H34N6O4 (C30 H34 N6 O4)

Compound Name

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

IUPAC name

4-[(1-{[(5-methyl-1H-pyrazol-3-yl)carbamoyl]methyl}-24-dioxo-1234-tetrahydroquinazolin-3-yl)methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide

SMILES

Cc1cc(NC(CN(c(cccc2)c2C(N2CC(CC3)CCC3C(NCCc3ccccc3)=O)=O)C2=O)=O)n[nH]1

InChI

InChI=1S/C30H34N6O4/c1-20-17-26(34-33-20)32-27(37)19-35-25-10-6-5-9-24(25)29(39)36(30(35)40)18-22-11-13-23(14-12-22)28(38)31-16-15-21-7-3-2-4-8-21/h2-10,17,22-23H,11-16,18-19H2,1H3,(H,31,38)(H2,32,33,34,37)

InChI Key

JPYGPCVWVIBCCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.64

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

3.619

Distribution Coefficient, logD

3.616

Water Solubility, LogSw

-3.93

Polar Surface Area

101.998

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.70

C260-2379 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C260-2379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2379?
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What is the minimum amount of C260-2379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2379
  • 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 C260-2379 available by request