E002-1693 Screening compound: 1-(4-methoxyphenyl)-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea

E002-1693 Screening compound: 1-(4-methoxyphenyl)-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
E002-1693 Screening compound: 1-(4-methoxyphenyl)-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-1693
1-(4-methoxyphenyl)-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

E002-1693

Molecular Formula

C16H21N5O2S (C16 H21 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CCC1)CN1c1nnc(NC(Nc(cc2)ccc2OC)=O)s1

InChI

InChI=1S/C16H21N5O2S/c1-11-4-3-9-21(10-11)16-20-19-15(24-16)18-14(22)17-12-5-7-13(23-2)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H2,17,18,19,22)/t11-/m0/s1

InChI Key

SEKBZZIRENWSHU-NSHDSACASA-N

MDL Number (MFCD)

MFCD14835450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.999

Distribution Coefficient, logD

3.999

Water Solubility, LogSw

-4.08

Polar Surface Area

66.831

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

8.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

E002-1693 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 E002-1693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-1693?
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What is the minimum amount of E002-1693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-1693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-1693
  • 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 E002-1693 available by request