K284-0402 Screening compound: methyl 4-oxo-3-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate

K284-0402 Screening compound: methyl 4-oxo-3-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
K284-0402 Screening compound: methyl 4-oxo-3-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-0402
methyl 4-oxo-3-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate

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

K284-0402

Molecular Formula

C16H13N3O3S (C16 H13 N3 O3 S)

Compound Name

methyl 4-oxo-3-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate

IUPAC name

methyl 4-oxo-3-[(pyridin-3-yl)methyl]-2-sulfanylidene-1234-tetrahydroquinazoline-7-carboxylate

SMILES

COC(c(cc1)cc(NC(N2Cc3cnccc3)=S)c1C2=O)=O

InChI

InChI=1S/C16H13N3O3S/c1-22-15(21)11-4-5-12-13(7-11)18-16(23)19(14(12)20)9-10-3-2-6-17-8-10/h2-8H,9H2,1H3,(H,18,23)

InChI Key

AWAPPPLGHUKXEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02650952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.236

Distribution Coefficient, logD

2.235

Water Solubility, LogSw

-2.87

Polar Surface Area

58.010

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with K284-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-0402?
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What is the minimum amount of K284-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-0402
  • 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 K284-0402 available by request