8012-4390 Screening compound: N-[2-(4-chlorophenoxy)ethyl]-4-(4-{[2-(4-chlorophenoxy)ethyl]carbamoyl}phenoxy)benzamide

8012-4390 Screening compound: N-[2-(4-chlorophenoxy)ethyl]-4-(4-{[2-(4-chlorophenoxy)ethyl]carbamoyl}phenoxy)benzamide
8012-4390 Screening compound: N-[2-(4-chlorophenoxy)ethyl]-4-(4-{[2-(4-chlorophenoxy)ethyl]carbamoyl}phenoxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4390
N-[2-(4-chlorophenoxy)ethyl]-4-(4-{[2-(4-chlorophenoxy)ethyl]carbamoyl}phenoxy)benzamide

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

8012-4390

Molecular Formula

C30H26Cl2N2O5 (C30 H26 Cl2 N2 O5)

Compound Name

N-[2-(4-chlorophenoxy)ethyl]-4-(4-{[2-(4-chlorophenoxy)ethyl]carbamoyl}phenoxy)benzamide

IUPAC name

N-[2-(4-chlorophenoxy)ethyl]-4-(4-{[2-(4-chlorophenoxy)ethyl]carbamoyl}phenoxy)benzamide

SMILES

O=C(c(cc1)ccc1Oc(cc1)ccc1C(NCCOc(cc1)ccc1Cl)=O)NCCOc(cc1)ccc1Cl

InChI

InChI=1S/C30H26Cl2N2O5/c31-23-5-13-25(14-6-23)37-19-17-33-29(35)21-1-9-27(10-2-21)39-28-11-3-22(4-12-28)30(36)34-18-20-38-26-15-7-24(32)8-16-26/h1-16H,17-20H2,(H,33,35)(H,34,36)

InChI Key

AWTXBTVJYPBCIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01204610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

565.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.876

Distribution Coefficient, logD

6.876

Water Solubility, LogSw

-6.63

Polar Surface Area

70.331

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8012-4390 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 8012-4390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4390?
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What is the minimum amount of 8012-4390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4390
  • 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 8012-4390 available by request