C260-2554 Screening compound: N-benzyl-4-{[1-(3,3-dimethyl-2-oxobutyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}cyclohexane-1-carboxamide

C260-2554 Screening compound: N-benzyl-4-{[1-(3,3-dimethyl-2-oxobutyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}cyclohexane-1-carboxamide
C260-2554 Screening compound: N-benzyl-4-{[1-(3,3-dimethyl-2-oxobutyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-2554
N-benzyl-4-{[1-(3,3-dimethyl-2-oxobutyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}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

C260-2554

Molecular Formula

C29H35N3O4 (C29 H35 N3 O4)

Compound Name

N-benzyl-4-{[1-(3,3-dimethyl-2-oxobutyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}cyclohexane-1-carboxamide

IUPAC name

N-benzyl-4-{[1-(33-dimethyl-2-oxobutyl)-24-dioxo-1234-tetrahydroquinazolin-3-yl]methyl}cyclohexane-1-carboxamide

SMILES

CC(C)(C)C(CN(c(cccc1)c1C(N1CC(CC2)CCC2C(NCc2ccccc2)=O)=O)C1=O)=O

InChI

InChI=1S/C29H35N3O4/c1-29(2,3)25(33)19-31-24-12-8-7-11-23(24)27(35)32(28(31)36)18-21-13-15-22(16-14-21)26(34)30-17-20-9-5-4-6-10-20/h4-12,21-22H,13-19H2,1-3H3,(H,30,34)

InChI Key

FUEWNQFTSBSEFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.388

Distribution Coefficient, logD

4.388

Water Solubility, LogSw

-4.49

Polar Surface Area

69.391

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

C260-2554 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 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 C260-2554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2554?
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What is the minimum amount of C260-2554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2554
  • 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 C260-2554 available by request