7027-1575 Screening compound: methyl 4-chloro-3-({2-[2-oxobenzo[cd]indol-1(2H)-yl]acetyl}amino)benzoate

7027-1575 Screening compound: methyl 4-chloro-3-({2-[2-oxobenzo[cd]indol-1(2H)-yl]acetyl}amino)benzoate
7027-1575 Screening compound: methyl 4-chloro-3-({2-[2-oxobenzo[cd]indol-1(2H)-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7027-1575
methyl 4-chloro-3-({2-[2-oxobenzo[cd]indol-1(2H)-yl]acetyl}amino)benzoate

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

7027-1575

Molecular Formula

C21H15ClN2O4 (C21 H15 ClN2 O4)

Compound Name

methyl 4-chloro-3-({2-[2-oxobenzo[cd]indol-1(2H)-yl]acetyl}amino)benzoate

IUPAC name

methyl 4-chloro-3-(2-{3-oxo-2-azatricyclo[6.3.1.0^{412}]dodeca-1(12)46810-pentaen-2-yl}acetamido)benzoate

SMILES

COC(c(cc1)cc(NC(CN(c2cccc3cccc4c23)C4=O)=O)c1Cl)=O

InChI

InChI=1S/C21H15ClN2O4/c1-28-21(27)13-8-9-15(22)16(10-13)23-18(25)11-24-17-7-3-5-12-4-2-6-14(19(12)17)20(24)26/h2-10H,11H2,1H3,(H,23,25)

InChI Key

OHUPGOAWEWTSAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04355750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.81

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.978

Distribution Coefficient, logD

3.977

Water Solubility, LogSw

-4.37

Polar Surface Area

59.061

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

7027-1575 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 7027-1575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7027-1575?
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What is the minimum amount of 7027-1575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7027-1575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7027-1575
  • 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 7027-1575 available by request