3850-0057 Screening compound: (3Z)-1-[(4-benzylpiperazin-1-yl)methyl]-3-[(3-chloro-4-methylphenyl)imino]-2,3-dihydro-1H-indol-2-one

3850-0057 Screening compound: (3Z)-1-[(4-benzylpiperazin-1-yl)methyl]-3-[(3-chloro-4-methylphenyl)imino]-2,3-dihydro-1H-indol-2-one
3850-0057 Screening compound: (3Z)-1-[(4-benzylpiperazin-1-yl)methyl]-3-[(3-chloro-4-methylphenyl)imino]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3850-0057
(3Z)-1-[(4-benzylpiperazin-1-yl)methyl]-3-[(3-chloro-4-methylphenyl)imino]-2,3-dihydro-1H-indol-2-one

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

3850-0057

Molecular Formula

C27H27ClN4O (C27 H27 ClN4 O)

Compound Name

(3Z)-1-[(4-benzylpiperazin-1-yl)methyl]-3-[(3-chloro-4-methylphenyl)imino]-2,3-dihydro-1H-indol-2-one

IUPAC name

(3Z)-1-[(4-benzylpiperazin-1-yl)methyl]-3-[(3-chloro-4-methylphenyl)imino]-23-dihydro-1H-indol-2-one

SMILES

Cc(ccc(/N=C(/c(cccc1)c1N1CN2CCN(Cc3ccccc3)CC2)\C1=O)c1)c1Cl

InChI

InChI=1S/C27H27ClN4O/c1-20-11-12-22(17-24(20)28)29-26-23-9-5-6-10-25(23)32(27(26)33)19-31-15-13-30(14-16-31)18-21-7-3-2-4-8-21/h2-12,17H,13-16,18-19H2,1H3

InChI Key

HXJXIHAYDYFDJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01240634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.99

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.116

Distribution Coefficient, logD

4.149

Water Solubility, LogSw

-5.38

Polar Surface Area

31.409

Acid Dissociation Constant (pKa)

28.48

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

3850-0057 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 3850-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3850-0057?
Check Price and Availability of 3850-0057, 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 3850-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3850-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3850-0057
  • 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 3850-0057 available by request