K284-4077 Screening compound: 4-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-cycloheptylbutanamide

K284-4077 Screening compound: 4-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-cycloheptylbutanamide
K284-4077 Screening compound: 4-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-cycloheptylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-4077
4-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-cycloheptylbutanamide

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

K284-4077

Molecular Formula

C19H24BrN3O2S (C19 H24 BrN3 O2 S)

Compound Name

4-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-cycloheptylbutanamide

IUPAC name

4-(6-bromo-4-oxo-2-sulfanylidene-1234-tetrahydroquinazolin-3-yl)-N-cycloheptylbutanamide

SMILES

O=C(CCCN(C(c(cc(cc1)Br)c1N1)=O)C1=S)NC1CCCCCC1

InChI

InChI=1S/C19H24BrN3O2S/c20-13-9-10-16-15(12-13)18(25)23(19(26)22-16)11-5-8-17(24)21-14-6-3-1-2-4-7-14/h9-10,12,14H,1-8,11H2,(H,21,24)(H,22,26)

InChI Key

SDRCDUCLEQXTEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05030089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.029

Distribution Coefficient, logD

3.964

Water Solubility, LogSw

-4.13

Polar Surface Area

51.824

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

K284-4077 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K284-4077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4077?
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What is the minimum amount of K284-4077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4077
  • 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 K284-4077 available by request