K288-0948 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

K288-0948 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
K288-0948 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K288-0948
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

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

K288-0948

Molecular Formula

C30H31N5O5S (C30 H31 N5 O5 S)

Compound Name

3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

3-[(2H-13-benzodioxol-5-yl)methyl]-N-(4-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1234-tetrahydroquinazoline-7-carboxamide

SMILES

CCN(CC)CCNC(c(cc1)ccc1NC(c(cc1)cc(NC(N2Cc(cc3)cc4c3OCO4)=S)c1C2=O)=O)=O

InChI

InChI=1S/C30H31N5O5S/c1-3-34(4-2)14-13-31-27(36)20-6-9-22(10-7-20)32-28(37)21-8-11-23-24(16-21)33-30(41)35(29(23)38)17-19-5-12-25-26(15-19)40-18-39-25/h5-12,15-16H,3-4,13-14,17-18H2,1-2H3,(H,31,36)(H,32,37)(H,33,41)

InChI Key

SMBHZJBVWXDACS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04421920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

573.67

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.994

Distribution Coefficient, logD

2.881

Water Solubility, LogSw

-4.08

Polar Surface Area

95.462

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

K288-0948 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K288-0948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K288-0948?
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What is the minimum amount of K288-0948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K288-0948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K288-0948
  • 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 K288-0948 available by request