K263-0618 Screening compound: N~1~-cyclohexyl-2-({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide

Chemical Structure Depiction of ChemDiv screening compound K263-0618
N~1~-cyclohexyl-2-({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide

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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K263-0618

Molecular Formula

C₂₈H₂₈N₄O₂S₂ (C28 H28 N4 O2 S2)

Compound Name

N~1~-cyclohexyl-2-({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide

IUPAC name

N-cyclohexyl-2-({5-[2-(1H-indol-3-yl)ethyl]-6-oxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-4-yl}sulfanyl)acetamide

SMILES

O=C(CSC(N(CCc1c[nH]c2c1cccc2)C1=O)=Nc2c1sc1c2cccc1)NC1CCCCC1

InChI

InChI=1S/C28H28N4O2S2/c33-24(30-19-8-2-1-3-9-19)17-35-28-31-25-21-11-5-7-13-23(21)36-26(25)27(34)32(28)15-14-18-16-29-22-12-6-4-10-20(18)22/h4-7,10-13,16,19,29H,1-3,8-9,14-15,17H2,(H,30,33)

InChI Key

RGLNURNPPPLNGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04445219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

5.634

Distribution Coefficient, logD

5.634

Water Solubility, LogSw

-5.94

Polar Surface Area

58.312

Acid Dissociation Constant (pK_a)

15.98

Base Dissociation Constant (pK_b)

0.50

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

32.10

K263-0618 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CORONAVIRUS Library (20774 compounds)

GPCR Targeted Library (31838 compounds)

MCL1 Targeted Library (12200 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Antiviral
Infections
Immune system
Antiviral
Infections
Immune system
Musculoskeletal
Respiratory tract
Nervous system
Congenital
Skin
Metabolic
Endocrine
Digestive system
Respiratory tract
Male
Female
Hemic and lymphatic
Musculoskeletal
Digestive system
Hemic and lymphatic
Cardiovascular
Skin
wounds

Targets:

GPCR

Mechanism of action:

Receptor's ligands
PPI modulators

Structure:

Mimetics

References: we are preparing a list of scientific research reports with K263-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0618?
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What is the minimum amount of K263-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K263-0618
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for K263-0618

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 K263-0618 available by request