E958-2067 Screening compound: 4-bromo-N-({1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-methylaniline

E958-2067 Screening compound: 4-bromo-N-({1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-methylaniline
E958-2067 Screening compound: 4-bromo-N-({1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-methylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-2067
4-bromo-N-({1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-methylaniline

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

E958-2067

Molecular Formula

C20H25BrN6S (C20 H25 BrN6 S)

Compound Name

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

IUPAC name

4-bromo-N-({1-[5-(4-ethylpiperazin-1-yl)-134-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-methylaniline

SMILES

CCN(CC1)CCN1c1nnc(-n2c(CNc(cc3)cc(C)c3Br)ccc2)s1

InChI

InChI=1S/C20H25BrN6S/c1-3-25-9-11-26(12-10-25)19-23-24-20(28-19)27-8-4-5-17(27)14-22-16-6-7-18(21)15(2)13-16/h4-8,13,22H,3,9-12,14H2,1-2H3

InChI Key

DKMCABOOQVMNIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.43

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

4.554

Distribution Coefficient, logD

3.697

Water Solubility, LogSw

-4.19

Polar Surface Area

43.126

Acid Dissociation Constant (pKa)

18.75

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with E958-2067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-2067?
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What is the minimum amount of E958-2067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-2067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-2067
  • 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 E958-2067 available by request