K279-0554 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~-BUTYLPROPANAMIDE

Chemical Structure Depiction of ChemDiv screening compound K279-0554
3-{5-[(2-{[4-(AMINOSULFONYL)PHENETHYL]AMINO}-2-OXOETHYL)SULFANYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL}-N~1~-BUTYLPROPANAMIDE

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

K279-0554

Molecular Formula

C₂₇H₃₂N₆O₅S₂ (C27 H32 N6 O5 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~-BUTYLPROPANAMIDE

IUPAC name

n/a

SMILES

CCCCNC(CCC1N2C(SCC(NCCc(cc3)ccc3S(N)(=O)=O)=O)=Nc(cccc3)c3C2=NC1=O)=O

InChI

InChI=1S/C27H32N6O5S2/c1-2-3-15-29-23(34)13-12-22-26(36)32-25-20-6-4-5-7-21(20)31-27(33(22)25)39-17-24(35)30-16-14-18-8-10-19(11-9-18)40(28,37)38/h4-11,22H,2-3,12-17H2,1H3,(H,29,34)(H,30,35)(H2,28,37,38)/t22-/m0/s1

InChI Key

SUGLDHJWYKJSLK-QFIPXVFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.72

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

0.539

Distribution Coefficient, logD

0.538

Water Solubility, LogSw

-2.51

Polar Surface Area

134.652

Acid Dissociation Constant (pK_a)

10.18

Base Dissociation Constant (pK_b)

3.90

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

37.00

K279-0554 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)

Adenosine Receptors Targeted Library (19896 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 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
Digestive system
Respiratory tract
Nervous system
Eye
Cardiovascular
Cancer
Nervous system
Hemic and lymphatic
Endocrine
Immune system
Cancer
Nervous system
Male
Female
Hemic and lymphatic
Skin
Endocrine

Mechanism of action:

PPI modulators
PPI modulators
Receptor's ligands
Epigenetic

Structure:

Cyclic compounds

Targets:

GPCR
Phosphatases

References: we are preparing a list of scientific research reports with K279-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K279-0554?
Check Price and Availability of K279-0554, 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 K279-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K279-0554
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for K279-0554

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 K279-0554 available by request