3988-0474 Screening compound: 2,4-dichloro-6-{[(1-propyl-1H-1,3-benzodiazol-2-yl)amino]methyl}phenol

3988-0474 Screening compound: 2,4-dichloro-6-{[(1-propyl-1H-1,3-benzodiazol-2-yl)amino]methyl}phenol
3988-0474 Screening compound: 2,4-dichloro-6-{[(1-propyl-1H-1,3-benzodiazol-2-yl)amino]methyl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3988-0474
2,4-dichloro-6-{[(1-propyl-1H-1,3-benzodiazol-2-yl)amino]methyl}phenol

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

3988-0474

Molecular Formula

C17H17Cl2N3O (C17 H17 Cl2 N3 O)

Compound Name

2,4-dichloro-6-{[(1-propyl-1H-1,3-benzodiazol-2-yl)amino]methyl}phenol

IUPAC name

24-dichloro-6-{[(1-propyl-1H-13-benzodiazol-2-yl)amino]methyl}phenol

SMILES

CCCn1c(NCc2cc(Cl)cc(Cl)c2O)nc2c1cccc2

InChI

InChI=1S/C17H17Cl2N3O/c1-2-7-22-15-6-4-3-5-14(15)21-17(22)20-10-11-8-12(18)9-13(19)16(11)23/h3-6,8-9,23H,2,7,10H2,1H3,(H,20,21)

InChI Key

BRVPYQFSACBCQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03007600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.25

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

5.422

Distribution Coefficient, logD

5.380

Water Solubility, LogSw

-5.57

Polar Surface Area

38.038

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

6.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

3988-0474 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 3988-0474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3988-0474?
Check Price and Availability of 3988-0474, 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 3988-0474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3988-0474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3988-0474
  • 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 3988-0474 available by request