E002-0693 Screening compound: 1-(4-fluorophenyl)-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea

E002-0693 Screening compound: 1-(4-fluorophenyl)-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
E002-0693 Screening compound: 1-(4-fluorophenyl)-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-0693
1-(4-fluorophenyl)-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]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

E002-0693

Molecular Formula

C15H18FN5OS (C15 H18 FN5 OS)

Compound Name

1-(4-fluorophenyl)-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea

IUPAC name

1-(4-fluorophenyl)-3-[5-(3-methylpiperidin-1-yl)-134-thiadiazol-2-yl]urea

SMILES

CC(CCC1)CN1c1nnc(NC(Nc(cc2)ccc2F)=O)s1

InChI

InChI=1S/C15H18FN5OS/c1-10-3-2-8-21(9-10)15-20-19-14(23-15)18-13(22)17-12-6-4-11(16)5-7-12/h4-7,10H,2-3,8-9H2,1H3,(H2,17,18,19,22)/t10-/m0/s1

InChI Key

DOCGKYLSTBGZRH-JTQLQIEISA-N

MDL Number (MFCD)

MFCD14834733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.046

Distribution Coefficient, logD

4.046

Water Solubility, LogSw

-3.98

Polar Surface Area

59.287

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

8.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

E002-0693 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E002-0693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-0693?
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What is the minimum amount of E002-0693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-0693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-0693
  • 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 E002-0693 available by request