K287-0136 Screening compound: 4-[2-(6,7-dimethoxy-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)ethyl]benzene-1-sulfonamide

K287-0136 Screening compound: 4-[2-(6,7-dimethoxy-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)ethyl]benzene-1-sulfonamide
K287-0136 Screening compound: 4-[2-(6,7-dimethoxy-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)ethyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K287-0136
4-[2-(6,7-dimethoxy-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)ethyl]benzene-1-sulfonamide

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

K287-0136

Molecular Formula

C18H19N3O5S2 (C18 H19 N3 O5 S2)

Compound Name

4-[2-(6,7-dimethoxy-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)ethyl]benzene-1-sulfonamide

IUPAC name

n/a

SMILES

COc(c(OC)c1)cc(C(N2CCc(cc3)ccc3S(N)(=O)=O)=O)c1NC2=S

InChI

InChI=1S/C18H19N3O5S2/c1-25-15-9-13-14(10-16(15)26-2)20-18(27)21(17(13)22)8-7-11-3-5-12(6-4-11)28(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H,20,27)(H2,19,23,24)

InChI Key

LDICHMWNCGARIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06136518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.499

Distribution Coefficient, logD

1.438

Water Solubility, LogSw

-2.52

Polar Surface Area

93.160

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K287-0136 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K287-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K287-0136?
Check Price and Availability of K287-0136, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K287-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K287-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K287-0136
  • 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 K287-0136 available by request