8151-3642 Screening compound: 2-[3-(1,3-BENZOTHIAZOL-2-YL)PROPYL]-1H-1,3-BENZIMIDAZOL-5-AMINE

8151-3642 Screening compound: 2-[3-(1,3-BENZOTHIAZOL-2-YL)PROPYL]-1H-1,3-BENZIMIDAZOL-5-AMINE
8151-3642 Screening compound: 2-[3-(1,3-BENZOTHIAZOL-2-YL)PROPYL]-1H-1,3-BENZIMIDAZOL-5-AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound 8151-3642
2-[3-(1,3-BENZOTHIAZOL-2-YL)PROPYL]-1H-1,3-BENZIMIDAZOL-5-AMINE

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

8151-3642

Molecular Formula

C17H16N4S (C17 H16 N4 S)

Compound Name

2-[3-(1,3-BENZOTHIAZOL-2-YL)PROPYL]-1H-1,3-BENZIMIDAZOL-5-AMINE

IUPAC name

n/a

SMILES

Nc(cc1)cc2c1[nH]c(CCCc1nc(cccc3)c3s1)n2

InChI

InChI=1S/C17H16N4S/c18-11-8-9-12-14(10-11)20-16(19-12)6-3-7-17-21-13-4-1-2-5-15(13)22-17/h1-2,4-5,8-10H,3,6-7,18H2,(H,19,20)

InChI Key

LSGOWPVKLSLGOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07161808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.757

Distribution Coefficient, logD

3.383

Water Solubility, LogSw

-4.35

Polar Surface Area

51.270

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

8151-3642 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8151-3642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8151-3642?
Check Price and Availability of 8151-3642, 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 8151-3642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8151-3642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8151-3642
  • 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 8151-3642 available by request