8013-9384 Screening compound: isopropyl 4-({2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzimidazol-1-yl]acetyl}amino)benzoate

8013-9384 Screening compound: isopropyl 4-({2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzimidazol-1-yl]acetyl}amino)benzoate
8013-9384 Screening compound: isopropyl 4-({2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzimidazol-1-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-9384
isopropyl 4-({2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzimidazol-1-yl]acetyl}amino)benzoate

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

8013-9384

Molecular Formula

C21H20N6O4 (C21 H20 N6 O4)

Compound Name

isopropyl 4-({2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzimidazol-1-yl]acetyl}amino)benzoate

IUPAC name

propan-2-yl 4-{2-[2-(4-amino-125-oxadiazol-3-yl)-1H-13-benzodiazol-1-yl]acetamido}benzoate

SMILES

CC(C)OC(c(cc1)ccc1NC(Cn1c(-c2nonc2N)nc2c1cccc2)=O)=O

InChI

InChI=1S/C21H20N6O4/c1-12(2)30-21(29)13-7-9-14(10-8-13)23-17(28)11-27-16-6-4-3-5-15(16)24-20(27)18-19(22)26-31-25-18/h3-10,12H,11H2,1-2H3,(H2,22,26)(H,23,28)

InChI Key

JXZMLHQKRFKJSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03042538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.883

Distribution Coefficient, logD

3.882

Water Solubility, LogSw

-4.17

Polar Surface Area

110.563

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.05

8013-9384 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-9384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-9384?
Check Price and Availability of 8013-9384, 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 8013-9384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-9384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-9384
  • 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 8013-9384 available by request