2950-0636 Screening compound: 1-(3,4-dichlorophenyl)-2-[2-imino-3-(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-1-yl]ethan-1-ol

2950-0636 Screening compound: 1-(3,4-dichlorophenyl)-2-[2-imino-3-(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-1-yl]ethan-1-ol
2950-0636 Screening compound: 1-(3,4-dichlorophenyl)-2-[2-imino-3-(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-1-yl]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2950-0636
1-(3,4-dichlorophenyl)-2-[2-imino-3-(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-1-yl]ethan-1-ol

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

2950-0636

Molecular Formula

C18H17Cl2N3O (C18 H17 Cl2 N3 O)

Compound Name

1-(3,4-dichlorophenyl)-2-[2-imino-3-(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-1-yl]ethan-1-ol

IUPAC name

1-(34-dichlorophenyl)-2-[2-imino-3-(prop-2-en-1-yl)-23-dihydro-1H-13-benzodiazol-1-yl]ethan-1-ol

SMILES

C=CCN(c(cccc1)c1N1CC(c(cc2)cc(Cl)c2Cl)O)C1=N

InChI

InChI=1S/C18H17Cl2N3O/c1-2-9-22-15-5-3-4-6-16(15)23(18(22)21)11-17(24)12-7-8-13(19)14(20)10-12/h2-8,10,17,21,24H,1,9,11H2/t17-/m0/s1

InChI Key

IOTCSGQSXGEYTR-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

362.26

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.229

Distribution Coefficient, logD

4.036

Water Solubility, LogSw

-4.26

Polar Surface Area

37.985

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 2950-0636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2950-0636?
Check Price and Availability of 2950-0636, 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 2950-0636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2950-0636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2950-0636
  • 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 2950-0636 available by request