K284-1335 Screening compound: 6-iodo-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

K284-1335 Screening compound: 6-iodo-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
K284-1335 Screening compound: 6-iodo-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-1335
6-iodo-3-[(2-methoxyphenyl)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

K284-1335

Molecular Formula

C16H13IN2O2S (C16 H13 IN2 O2 S)

Compound Name

6-iodo-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

6-iodo-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1234-tetrahydroquinazolin-4-one

SMILES

COc1c(CN(C(c(cc(cc2)I)c2N2)=O)C2=S)cccc1

InChI

InChI=1S/C16H13IN2O2S/c1-21-14-5-3-2-4-10(14)9-19-15(20)12-8-11(17)6-7-13(12)18-16(19)22/h2-8H,9H2,1H3,(H,18,22)

InChI Key

HUADLZSTRWNJDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05024074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.936

Distribution Coefficient, logD

4.914

Water Solubility, LogSw

-4.57

Polar Surface Area

34.948

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

-9.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

K284-1335 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K284-1335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-1335?
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What is the minimum amount of K284-1335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-1335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-1335
  • 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 K284-1335 available by request