2324-0296 Screening compound: 1,3-bis[2-(acetyloxy)ethyl]-2-[(1E)-3-{1,3-bis[2-(acetyloxy)ethyl]-5,6-dichloro-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene}prop-1-en-1-yl]-5,6-dichloro-1H-1,3-benzodiazol-3-ium

2324-0296 Screening compound: 1,3-bis[2-(acetyloxy)ethyl]-2-[(1E)-3-{1,3-bis[2-(acetyloxy)ethyl]-5,6-dichloro-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene}prop-1-en-1-yl]-5,6-dichloro-1H-1,3-benzodiazol-3-ium
2324-0296 Screening compound: 1,3-bis[2-(acetyloxy)ethyl]-2-[(1E)-3-{1,3-bis[2-(acetyloxy)ethyl]-5,6-dichloro-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene}prop-1-en-1-yl]-5,6-dichloro-1H-1,3-benzodiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 2324-0296
1,3-bis[2-(acetyloxy)ethyl]-2-[(1E)-3-{1,3-bis[2-(acetyloxy)ethyl]-5,6-dichloro-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene}prop-1-en-1-yl]-5,6-dichloro-1H-1,3-benzodiazol-3-ium

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

2324-0296

Molecular Formula

C33H35Cl4N4O8 (C33 H35 Cl4 N4 O8)

Compound Name

1,3-bis[2-(acetyloxy)ethyl]-2-[(1E)-3-{1,3-bis[2-(acetyloxy)ethyl]-5,6-dichloro-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene}prop-1-en-1-yl]-5,6-dichloro-1H-1,3-benzodiazol-3-ium

IUPAC name

13-bis[2-(acetyloxy)ethyl]-2-[(1E)-3-{13-bis[2-(acetyloxy)ethyl]-56-dichloro-23-dihydro-1H-13-benzodiazol-2-ylidene}prop-1-en-1-yl]-56-dichloro-1H-13-benzodiazol-3-ium

SMILES

CC(OCCn(c(/C=C/C=C1N(CCOC(C)=O)c(cc(c(Cl)c2)Cl)c2N1CCOC(C)=O)[n+](CCOC(C)=O)c1c2)c1cc(Cl)c2Cl)=O

InChI

InChI=1S/C33H35Cl4N4O8/c1-20(42)46-12-8-38-28-16-24(34)25(35)17-29(28)39(9-13-47-21(2)43)32(38)6-5-7-33-40(10-14-48-22(3)44)30-18-26(36)27(37)19-31(30)41(33)11-15-49-23(4)45/h5-7,16-19H,8-15H2,1-4H3/q+1

InChI Key

VYNMNXJRZOPMTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01841211

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

757.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

7.079

Distribution Coefficient, logD

7.079

Water Solubility, LogSw

-6.47

Polar Surface Area

90.207

Acid Dissociation Constant (pKa)

24.24

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

2324-0296 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2324-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2324-0296?
Check Price and Availability of 2324-0296, 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 2324-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2324-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2324-0296
  • 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 2324-0296 available by request