C260-2544 Screening compound: 4-({1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide

C260-2544 Screening compound: 4-({1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide
C260-2544 Screening compound: 4-({1-[(4-nitrophenyl)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 C260-2544
4-({1-[(4-nitrophenyl)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

C260-2544

Molecular Formula

C31H32N4O5 (C31 H32 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1ccc(CN(c(cccc2)c2C(N2CC(CC3)CCC3C(NCCc3ccccc3)=O)=O)C2=O)cc1)=O

InChI

InChI=1S/C31H32N4O5/c36-29(32-19-18-22-6-2-1-3-7-22)25-14-10-23(11-15-25)21-34-30(37)27-8-4-5-9-28(27)33(31(34)38)20-24-12-16-26(17-13-24)35(39)40/h1-9,12-13,16-17,23,25H,10-11,14-15,18-21H2,(H,32,36)

InChI Key

NWRKXLZKSBPGRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.167

Distribution Coefficient, logD

5.167

Water Solubility, LogSw

-5.36

Polar Surface Area

89.095

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.30

C260-2544 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

MCL1 Targeted Library (12200 compounds)

PLpro Library (6343 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C260-2544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2544?
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What is the minimum amount of C260-2544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2544
  • 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 C260-2544 available by request