2983-0014 Screening compound: 2-[2-({2-[4-(tert-butyl)phenoxy]ethyl}sulfanyl)-1H-1,3-benzimidazol-1-yl]acetamide

2983-0014 Screening compound: 2-[2-({2-[4-(tert-butyl)phenoxy]ethyl}sulfanyl)-1H-1,3-benzimidazol-1-yl]acetamide
2983-0014 Screening compound: 2-[2-({2-[4-(tert-butyl)phenoxy]ethyl}sulfanyl)-1H-1,3-benzimidazol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2983-0014
2-[2-({2-[4-(tert-butyl)phenoxy]ethyl}sulfanyl)-1H-1,3-benzimidazol-1-yl]acetamide

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

2983-0014

Molecular Formula

C21H25N3O2S (C21 H25 N3 O2 S)

Compound Name

2-[2-({2-[4-(tert-butyl)phenoxy]ethyl}sulfanyl)-1H-1,3-benzimidazol-1-yl]acetamide

IUPAC name

2-(2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-1H-13-benzodiazol-1-yl)acetamide

SMILES

CC(C)(C)c(cc1)ccc1OCCSc1nc(cccc2)c2n1CC(N)=O

InChI

InChI=1S/C21H25N3O2S/c1-21(2,3)15-8-10-16(11-9-15)26-12-13-27-20-23-17-6-4-5-7-18(17)24(20)14-19(22)25/h4-11H,12-14H2,1-3H3,(H2,22,25)

InChI Key

QNCOQVFXTUCPQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01874473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.655

Distribution Coefficient, logD

4.655

Water Solubility, LogSw

-4.55

Polar Surface Area

51.555

Acid Dissociation Constant (pKa)

15.24

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with 2983-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2983-0014?
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What is the minimum amount of 2983-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2983-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2983-0014
  • 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 2983-0014 available by request