D090-0080 Screening compound: 3-[2-(carbamoylmethyl)-1H-1,3-benzodiazol-1-yl]propanamide

D090-0080 Screening compound: 3-[2-(carbamoylmethyl)-1H-1,3-benzodiazol-1-yl]propanamide
D090-0080 Screening compound: 3-[2-(carbamoylmethyl)-1H-1,3-benzodiazol-1-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D090-0080
3-[2-(carbamoylmethyl)-1H-1,3-benzodiazol-1-yl]propanamide

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

D090-0080

Molecular Formula

C12H14N4O2 (C12 H14 N4 O2)

Compound Name

3-[2-(carbamoylmethyl)-1H-1,3-benzodiazol-1-yl]propanamide

IUPAC name

3-[2-(carbamoylmethyl)-1H-13-benzodiazol-1-yl]propanamide

SMILES

NC(CCn1c(cccc2)c2nc1CC(N)=O)=O

InChI

InChI=1S/C12H14N4O2/c13-10(17)5-6-16-9-4-2-1-3-8(9)15-12(16)7-11(14)18/h1-4H,5-7H2,(H2,13,17)(H2,14,18)

InChI Key

VYSOBYSKNXPHOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00846536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

246.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.466

Distribution Coefficient, logD

-0.466

Water Solubility, LogSw

-1.25

Polar Surface Area

78.169

Acid Dissociation Constant (pKa)

15.02

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D090-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D090-0080?
Check Price and Availability of D090-0080, 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 D090-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D090-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D090-0080
  • 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 D090-0080 available by request