D664-0002 Screening compound: 4-(2-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methyl]amino}ethyl)benzene-1-sulfonamide

D664-0002 Screening compound: 4-(2-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methyl]amino}ethyl)benzene-1-sulfonamide
D664-0002 Screening compound: 4-(2-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methyl]amino}ethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D664-0002
4-(2-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methyl]amino}ethyl)benzene-1-sulfonamide

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

D664-0002

Molecular Formula

C18H22N4O3S (C18 H22 N4 O3 S)

Compound Name

4-(2-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methyl]amino}ethyl)benzene-1-sulfonamide

IUPAC name

4-(2-{[(13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl)methyl]amino}ethyl)benzene-1-sulfonamide

SMILES

CN(c(ccc(CNCCc(cc1)ccc1S(N)(=O)=O)c1)c1N1C)C1=O

InChI

InChI=1S/C18H22N4O3S/c1-21-16-8-5-14(11-17(16)22(2)18(21)23)12-20-10-9-13-3-6-15(7-4-13)26(19,24)25/h3-8,11,20H,9-10,12H2,1-2H3,(H2,19,24,25)

InChI Key

DLCFWIGPAKPXIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13370200

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

374.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.456

Distribution Coefficient, logD

-2.605

Water Solubility, LogSw

-2.30

Polar Surface Area

80.134

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

10.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D664-0002 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D664-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D664-0002?
Check Price and Availability of D664-0002, 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 D664-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D664-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D664-0002
  • 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 D664-0002 available by request