C260-2771 Screening compound: 4-[(1-{[cyclohexyl(methyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide

Chemical Structure Depiction of ChemDiv screening compound C260-2771
4-[(1-{[cyclohexyl(methyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide

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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C260-2771

Molecular Formula

C₃₃H₃₆N₄O₄ (C33 H36 N4 O4)

Compound Name

4-[(1-{[cyclohexyl(methyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide

IUPAC name

4-[(1-{[cyclohexyl(methyl)carbamoyl]methyl}-24-dioxo-1234-tetrahydroquinazolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide

SMILES

Cc1ccc(CNC(c2ccc(CN(C(c(cccc3)c3N3CC(N(C)C4CCCCC4)=O)=O)C3=O)cc2)=O)cc1

InChI

InChI=1S/C33H36N4O4/c1-23-12-14-24(15-13-23)20-34-31(39)26-18-16-25(17-19-26)21-37-32(40)28-10-6-7-11-29(28)36(33(37)41)22-30(38)35(2)27-8-4-3-5-9-27/h6-7,10-19,27H,3-5,8-9,20-22H2,1-2H3,(H,34,39)

InChI Key

TWIYHDGTCWSFOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

4.371

Distribution Coefficient, logD

4.371

Water Solubility, LogSw

-4.34

Polar Surface Area

70.626

Acid Dissociation Constant (pK_a)

11.60

Base Dissociation Constant (pK_b)

1.49

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

33.30

C260-2771 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

MCL1 Targeted Library (12200 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
Antiviral
Infections
Immune system
Antiviral
Infections
Immune system
Cardiovascular
Metabolic
Digestive system
Respiratory tract
Male
Female
Hemic and lymphatic
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 C260-2771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2771?
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What is the minimum amount of C260-2771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for C260-2771
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for C260-2771

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 C260-2771 available by request