3949-1115 Screening compound: 2-[(2E)-2-({3-chloro-5-ethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}methylidene)hydrazin-1-yl]-4,6-bis(pyrrolidin-1-yl)-1,3,5-triazine

3949-1115 Screening compound: 2-[(2E)-2-({3-chloro-5-ethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}methylidene)hydrazin-1-yl]-4,6-bis(pyrrolidin-1-yl)-1,3,5-triazine
3949-1115 Screening compound: 2-[(2E)-2-({3-chloro-5-ethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}methylidene)hydrazin-1-yl]-4,6-bis(pyrrolidin-1-yl)-1,3,5-triazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3949-1115
2-[(2E)-2-({3-chloro-5-ethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}methylidene)hydrazin-1-yl]-4,6-bis(pyrrolidin-1-yl)-1,3,5-triazine

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

3949-1115

Molecular Formula

C29H36ClN7O3 (C29 H36 ClN7 O3)

Compound Name

2-[(2E)-2-({3-chloro-5-ethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}methylidene)hydrazin-1-yl]-4,6-bis(pyrrolidin-1-yl)-1,3,5-triazine

IUPAC name

2-[(2E)-2-({3-chloro-5-ethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}methylidene)hydrazin-1-yl]-46-bis(pyrrolidin-1-yl)-135-triazine

SMILES

CCOc1cc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc(Cl)c1OCCOc1cc(C)ccc1

InChI

InChI=1S/C29H36ClN7O3/c1-3-38-25-19-22(18-24(30)26(25)40-16-15-39-23-10-8-9-21(2)17-23)20-31-35-27-32-28(36-11-4-5-12-36)34-29(33-27)37-13-6-7-14-37/h8-10,17-20H,3-7,11-16H2,1-2H3,(H,32,33,34,35)

InChI Key

KULGEXNCEQGRJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03184109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.1

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

7.995

Distribution Coefficient, logD

7.944

Water Solubility, LogSw

-6.65

Polar Surface Area

79.814

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

3949-1115 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3949-1115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3949-1115?
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What is the minimum amount of 3949-1115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3949-1115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3949-1115
  • 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 3949-1115 available by request