E958-1041 Screening compound: 5-{2-[(cyclopentylamino)methyl]-1H-pyrrol-1-yl}-N,N-diethyl-1,3,4-thiadiazol-2-amine

E958-1041 Screening compound: 5-{2-[(cyclopentylamino)methyl]-1H-pyrrol-1-yl}-N,N-diethyl-1,3,4-thiadiazol-2-amine
E958-1041 Screening compound: 5-{2-[(cyclopentylamino)methyl]-1H-pyrrol-1-yl}-N,N-diethyl-1,3,4-thiadiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-1041
5-{2-[(cyclopentylamino)methyl]-1H-pyrrol-1-yl}-N,N-diethyl-1,3,4-thiadiazol-2-amine

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

E958-1041

Molecular Formula

C16H25N5S (C16 H25 N5 S)

Compound Name

5-{2-[(cyclopentylamino)methyl]-1H-pyrrol-1-yl}-N,N-diethyl-1,3,4-thiadiazol-2-amine

IUPAC name

n/a

SMILES

CCN(CC)c1nnc(-n2c(CNC3CCCC3)ccc2)s1

InChI

InChI=1S/C16H25N5S/c1-3-20(4-2)15-18-19-16(22-15)21-11-7-10-14(21)12-17-13-8-5-6-9-13/h7,10-11,13,17H,3-6,8-9,12H2,1-2H3

InChI Key

YJUHZCIQONAULN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.306

Distribution Coefficient, logD

2.492

Water Solubility, LogSw

-3.46

Polar Surface Area

40.286

Acid Dissociation Constant (pKa)

23.54

Base Dissociation Constant (pKb)

8.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

E958-1041 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E958-1041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-1041?
Check Price and Availability of E958-1041, 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 E958-1041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-1041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-1041
  • 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 E958-1041 available by request