E002-0398 Screening compound: 3-{5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}-1-(2-fluorophenyl)urea

E002-0398 Screening compound: 3-{5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}-1-(2-fluorophenyl)urea
E002-0398 Screening compound: 3-{5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}-1-(2-fluorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-0398
3-{5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}-1-(2-fluorophenyl)urea

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

E002-0398

Molecular Formula

C17H24FN5OS (C17 H24 FN5 OS)

Compound Name

3-{5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}-1-(2-fluorophenyl)urea

IUPAC name

3-{5-[bis(2-methylpropyl)amino]-134-thiadiazol-2-yl}-1-(2-fluorophenyl)urea

SMILES

CC(C)CN(CC(C)C)c1nnc(NC(Nc(cccc2)c2F)=O)s1

InChI

InChI=1S/C17H24FN5OS/c1-11(2)9-23(10-12(3)4)17-22-21-16(25-17)20-15(24)19-14-8-6-5-7-13(14)18/h5-8,11-12H,9-10H2,1-4H3,(H2,19,20,21,24)

InChI Key

ILCOYGXMLSFZKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.159

Distribution Coefficient, logD

5.159

Water Solubility, LogSw

-4.92

Polar Surface Area

58.490

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

E002-0398 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with E002-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-0398?
Check Price and Availability of E002-0398, 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 E002-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-0398
  • 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 E002-0398 available by request