K250-0178 Screening compound: 6-{[2-(butylamino)-2-oxoethyl]sulfanyl}-N~3~-(3,4-dimethoxyphenethyl)[1,3]benzimidazo[1,2-c]quinazoline-3-carboxamide

K250-0178 Screening compound: 6-{[2-(butylamino)-2-oxoethyl]sulfanyl}-N~3~-(3,4-dimethoxyphenethyl)[1,3]benzimidazo[1,2-c]quinazoline-3-carboxamide
K250-0178 Screening compound: 6-{[2-(butylamino)-2-oxoethyl]sulfanyl}-N~3~-(3,4-dimethoxyphenethyl)[1,3]benzimidazo[1,2-c]quinazoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K250-0178
6-{[2-(butylamino)-2-oxoethyl]sulfanyl}-N~3~-(3,4-dimethoxyphenethyl)[1,3]benzimidazo[1,2-c]quinazoline-3-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

K250-0178

Molecular Formula

C31H33N5O4S (C31 H33 N5 O4 S)

Compound Name

6-{[2-(butylamino)-2-oxoethyl]sulfanyl}-N~3~-(3,4-dimethoxyphenethyl)[1,3]benzimidazo[1,2-c]quinazoline-3-carboxamide

IUPAC name

9-{[(butylcarbamoyl)methyl]sulfanyl}-N-[2-(34-dimethoxyphenyl)ethyl]-81017-triazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1(17)246811(16)1214-octaene-5-carboxamide

SMILES

CCCCNC(CSc1nc(cc(cc2)C(NCCc(cc3)cc(OC)c3OC)=O)c2c2nc(cccc3)c3n12)=O

InChI

InChI=1S/C31H33N5O4S/c1-4-5-15-32-28(37)19-41-31-35-24-18-21(11-12-22(24)29-34-23-8-6-7-9-25(23)36(29)31)30(38)33-16-14-20-10-13-26(39-2)27(17-20)40-3/h6-13,17-18H,4-5,14-16,19H2,1-3H3,(H,32,37)(H,33,38)

InChI Key

FMMKRBZEQCJRAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

571.7

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.694

Distribution Coefficient, logD

4.694

Water Solubility, LogSw

-4.56

Polar Surface Area

80.919

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

K250-0178 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with K250-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K250-0178?
Check Price and Availability of K250-0178, 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 K250-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K250-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K250-0178
  • 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 K250-0178 available by request