E958-1983 Screening compound: 2-bromo-N-({1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline

E958-1983 Screening compound: 2-bromo-N-({1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline
E958-1983 Screening compound: 2-bromo-N-({1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-1983
2-bromo-N-({1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline

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

E958-1983

Molecular Formula

C19H23BrN6S (C19 H23 BrN6 S)

Compound Name

2-bromo-N-({1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline

IUPAC name

2-bromo-N-({1-[5-(4-ethylpiperazin-1-yl)-134-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline

SMILES

CCN(CC1)CCN1c1nnc(-n2c(CNc(cccc3)c3Br)ccc2)s1

InChI

InChI=1S/C19H23BrN6S/c1-2-24-10-12-25(13-11-24)18-22-23-19(27-18)26-9-5-6-15(26)14-21-17-8-4-3-7-16(17)20/h3-9,21H,2,10-14H2,1H3

InChI Key

LJBWNZXHZZWPTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.992

Distribution Coefficient, logD

3.135

Water Solubility, LogSw

-3.99

Polar Surface Area

42.428

Acid Dissociation Constant (pKa)

19.39

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

E958-1983 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E958-1983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-1983?
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What is the minimum amount of E958-1983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-1983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-1983
  • 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 E958-1983 available by request