C105-1444 Screening compound: 3-[(2,1,3-benzoxadiazol-4-ylsulfonyl)amino]-N~1~-(3,4-dimethoxyphenethyl)propanamide

C105-1444 Screening compound: 3-[(2,1,3-benzoxadiazol-4-ylsulfonyl)amino]-N~1~-(3,4-dimethoxyphenethyl)propanamide
C105-1444 Screening compound: 3-[(2,1,3-benzoxadiazol-4-ylsulfonyl)amino]-N~1~-(3,4-dimethoxyphenethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C105-1444
3-[(2,1,3-benzoxadiazol-4-ylsulfonyl)amino]-N~1~-(3,4-dimethoxyphenethyl)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

C105-1444

Molecular Formula

C19H22N4O6S (C19 H22 N4 O6 S)

Compound Name

3-[(2,1,3-benzoxadiazol-4-ylsulfonyl)amino]-N~1~-(3,4-dimethoxyphenethyl)propanamide

IUPAC name

n/a

SMILES

COc(ccc(CCNC(CCNS(c1cccc2nonc12)(=O)=O)=O)c1)c1OC

InChI

InChI=1S/C19H22N4O6S/c1-27-15-7-6-13(12-16(15)28-2)8-10-20-18(24)9-11-21-30(25,26)17-5-3-4-14-19(17)23-29-22-14/h3-7,12,21H,8-11H2,1-2H3,(H,20,24)

InChI Key

OHFDEVGHLCZMQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.341

Distribution Coefficient, logD

1.338

Water Solubility, LogSw

-2.46

Polar Surface Area

117.502

Acid Dissociation Constant (pKa)

9.44

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with C105-1444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C105-1444?
Check Price and Availability of C105-1444, 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 C105-1444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C105-1444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C105-1444
  • 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 C105-1444 available by request