K284-6181 Screening compound: 3-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclohexyl}methyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

K284-6181 Screening compound: 3-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclohexyl}methyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
K284-6181 Screening compound: 3-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclohexyl}methyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-6181
3-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclohexyl}methyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

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

K284-6181

Molecular Formula

C26H29ClN4O2S (C26 H29 ClN4 O2 S)

Compound Name

3-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclohexyl}methyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

3-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclohexyl}methyl)-2-sulfanylidene-1234-tetrahydroquinazolin-4-one

SMILES

O=C(C1CCC(CN(C(c(cccc2)c2N2)=O)C2=S)CC1)N(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C26H29ClN4O2S/c27-20-4-3-5-21(16-20)29-12-14-30(15-13-29)24(32)19-10-8-18(9-11-19)17-31-25(33)22-6-1-2-7-23(22)28-26(31)34/h1-7,16,18-19H,8-15,17H2,(H,28,34)

InChI Key

KWMLNDBZZCRTCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15089259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.06

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.346

Distribution Coefficient, logD

5.345

Water Solubility, LogSw

-5.84

Polar Surface Area

47.419

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

K284-6181 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K284-6181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-6181?
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What is the minimum amount of K284-6181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-6181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-6181
  • 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 K284-6181 available by request