K279-0654 Screening compound: 3-{5-[(2-{[4-(AMINOSULFONYL)PHENETHYL]AMINO}-2-OXOETHYL)SULFANYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL}-N~1~-(1,3-BENZODIOXOL-5-YLMETHYL)PROPANAMIDE

Chemical Structure Depiction of ChemDiv screening compound K279-0654
3-{5-[(2-{[4-(AMINOSULFONYL)PHENETHYL]AMINO}-2-OXOETHYL)SULFANYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL}-N~1~-(1,3-BENZODIOXOL-5-YLMETHYL)PROPANAMIDE

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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K279-0654

Molecular Formula

C₃₁H₃₀N₆O₇S₂ (C31 H30 N6 O7 S2)

Compound Name

3-{5-[(2-{[4-(AMINOSULFONYL)PHENETHYL]AMINO}-2-OXOETHYL)SULFANYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL}-N~1~-(1,3-BENZODIOXOL-5-YLMETHYL)PROPANAMIDE

IUPAC name

n/a

SMILES

NS(c1ccc(CCNC(CSC(N2C3CCC(NCc(cc4)cc5c4OCO5)=O)=Nc(cccc4)c4C2=NC3=O)=O)cc1)(=O)=O

InChI

InChI=1S/C31H30N6O7S2/c32-46(41,42)21-8-5-19(6-9-21)13-14-33-28(39)17-45-31-35-23-4-2-1-3-22(23)29-36-30(40)24(37(29)31)10-12-27(38)34-16-20-7-11-25-26(15-20)44-18-43-25/h1-9,11,15,24H,10,12-14,16-18H2,(H,33,39)(H,34,38)(H2,32,41,42)/t24-/m0/s1

InChI Key

UJWHKTVFEPUTMZ-DEOSSOPVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

662.75

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

0.798

Distribution Coefficient, logD

0.797

Water Solubility, LogSw

-2.52

Polar Surface Area

151.655

Acid Dissociation Constant (pK_a)

10.18

Base Dissociation Constant (pK_b)

3.90

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

25.80

K279-0654 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Antiviral
Infections
Immune system
Antiviral
Infections
Immune system
Musculoskeletal
Digestive system
Hemic and lymphatic
Cardiovascular
Skin
wounds
Cancer
Nervous system
Male
Female
Hemic and lymphatic
Skin
Endocrine

Mechanism of action:

PPI modulators
PPI modulators

Structure:

Cyclic compounds

Targets:

Phosphatases

References: we are preparing a list of scientific research reports with K279-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K279-0654?
Check Price and Availability of K279-0654, 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 K279-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K279-0654
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for K279-0654

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 K279-0654 available by request