F690-0650 Screening compound: N-(6-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]amino}-4-methoxy-1,3-benzothiazol-2-yl)propanamide

F690-0650 Screening compound: N-(6-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]amino}-4-methoxy-1,3-benzothiazol-2-yl)propanamide
F690-0650 Screening compound: N-(6-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]amino}-4-methoxy-1,3-benzothiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F690-0650
N-(6-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]amino}-4-methoxy-1,3-benzothiazol-2-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

F690-0650

Molecular Formula

C19H18N4O5S (C19 H18 N4 O5 S)

Compound Name

N-(6-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]amino}-4-methoxy-1,3-benzothiazol-2-yl)propanamide

IUPAC name

N-(6-{[(2H-13-benzodioxol-5-yl)carbamoyl]amino}-4-methoxy-13-benzothiazol-2-yl)propanamide

SMILES

CCC(Nc1nc(c(OC)cc(NC(Nc(cc2)cc3c2OCO3)=O)c2)c2s1)=O

InChI

InChI=1S/C19H18N4O5S/c1-3-16(24)22-19-23-17-14(26-2)7-11(8-15(17)29-19)21-18(25)20-10-4-5-12-13(6-10)28-9-27-12/h4-8H,3,9H2,1-2H3,(H2,20,21,25)(H,22,23,24)

InChI Key

SRSVDRUFBYISDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14963508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.838

Distribution Coefficient, logD

3.838

Water Solubility, LogSw

-3.98

Polar Surface Area

90.968

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

F690-0650 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F690-0650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F690-0650?
Check Price and Availability of F690-0650, 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 F690-0650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F690-0650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F690-0650
  • 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 F690-0650 available by request