E002-1811 Screening compound: 3-{5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl}-1-cyclopentylurea

E002-1811 Screening compound: 3-{5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl}-1-cyclopentylurea
E002-1811 Screening compound: 3-{5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl}-1-cyclopentylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-1811
3-{5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl}-1-cyclopentylurea

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

E002-1811

Molecular Formula

C15H25N5OS (C15 H25 N5 OS)

Compound Name

3-{5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl}-1-cyclopentylurea

IUPAC name

3-{5-[cyclohexyl(methyl)amino]-134-thiadiazol-2-yl}-1-cyclopentylurea

SMILES

CN(C1CCCCC1)c1nnc(NC(NC2CCCC2)=O)s1

InChI

InChI=1S/C15H25N5OS/c1-20(12-9-3-2-4-10-12)15-19-18-14(22-15)17-13(21)16-11-7-5-6-8-11/h11-12H,2-10H2,1H3,(H2,16,17,18,21)

InChI Key

GJZKKEWCHBVTAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.607

Distribution Coefficient, logD

3.607

Water Solubility, LogSw

-3.81

Polar Surface Area

59.321

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

8.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

80.00

E002-1811 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E002-1811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-1811?
Check Price and Availability of E002-1811, 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 E002-1811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-1811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-1811
  • 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 E002-1811 available by request