8016-4837 Screening compound: 3-(3-chloro-2-methylanilino)-1-(3-chloro-2-methylphenyl)-4,5,6,7-tetrahydrocyclohepta[b]pyrrol-2(1H)-one

8016-4837 Screening compound: 3-(3-chloro-2-methylanilino)-1-(3-chloro-2-methylphenyl)-4,5,6,7-tetrahydrocyclohepta[b]pyrrol-2(1H)-one
8016-4837 Screening compound: 3-(3-chloro-2-methylanilino)-1-(3-chloro-2-methylphenyl)-4,5,6,7-tetrahydrocyclohepta[b]pyrrol-2(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4837
3-(3-chloro-2-methylanilino)-1-(3-chloro-2-methylphenyl)-4,5,6,7-tetrahydrocyclohepta[b]pyrrol-2(1H)-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

8016-4837

Molecular Formula

C23H22Cl2N2O (C23 H22 Cl2 N2 O)

Compound Name

3-(3-chloro-2-methylanilino)-1-(3-chloro-2-methylphenyl)-4,5,6,7-tetrahydrocyclohepta[b]pyrrol-2(1H)-one

IUPAC name

1-(3-chloro-2-methylphenyl)-3-[(3-chloro-2-methylphenyl)amino]-1H2H4H5H6H7H-cyclohepta[b]pyrrol-2-one

SMILES

Cc(c(Cl)ccc1)c1NC(C(N1c2cccc(Cl)c2C)=O)=C2C1=CCCCC2

InChI

InChI=1S/C23H22Cl2N2O/c1-14-17(24)9-6-11-19(14)26-22-16-8-4-3-5-12-21(16)27(23(22)28)20-13-7-10-18(25)15(20)2/h6-7,9-13,26H,3-5,8H2,1-2H3

InChI Key

NQTMYZKASDJJBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.35

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.178

Distribution Coefficient, logD

7.177

Water Solubility, LogSw

-6.29

Polar Surface Area

23.550

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

-13.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.09

References: we are preparing a list of scientific research reports with 8016-4837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4837?
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What is the minimum amount of 8016-4837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4837
  • 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 8016-4837 available by request