K284-3694 Screening compound: methyl 3-({4-[4-(ethoxycarbonyl)piperazine-1-carbonyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate

K284-3694 Screening compound: methyl 3-({4-[4-(ethoxycarbonyl)piperazine-1-carbonyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
K284-3694 Screening compound: methyl 3-({4-[4-(ethoxycarbonyl)piperazine-1-carbonyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-3694
methyl 3-({4-[4-(ethoxycarbonyl)piperazine-1-carbonyl]phenyl}methyl)-4-oxo-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

K284-3694

Molecular Formula

C25H26N4O6S (C25 H26 N4 O6 S)

Compound Name

methyl 3-({4-[4-(ethoxycarbonyl)piperazine-1-carbonyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate

IUPAC name

methyl 3-({4-[4-(ethoxycarbonyl)piperazine-1-carbonyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1234-tetrahydroquinazoline-7-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c1ccc(CN(C(c(ccc(C(OC)=O)c2)c2N2)=O)C2=S)cc1)=O)=O

InChI

InChI=1S/C25H26N4O6S/c1-3-35-25(33)28-12-10-27(11-13-28)21(30)17-6-4-16(5-7-17)15-29-22(31)19-9-8-18(23(32)34-2)14-20(19)26-24(29)36/h4-9,14H,3,10-13,15H2,1-2H3,(H,26,36)

InChI Key

LHLMXMURWHKMER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.57

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.999

Distribution Coefficient, logD

2.998

Water Solubility, LogSw

-3.39

Polar Surface Area

87.920

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

K284-3694 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K284-3694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-3694?
Check Price and Availability of K284-3694, 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 K284-3694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-3694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-3694
  • 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 K284-3694 available by request