8012-3120 Screening compound: N-(adamantan-1-yl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetamide

8012-3120 Screening compound: N-(adamantan-1-yl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetamide
8012-3120 Screening compound: N-(adamantan-1-yl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-3120
N-(adamantan-1-yl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetamide

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

8012-3120

Molecular Formula

C29H31ClN2O3 (C29 H31 ClN2 O3)

Compound Name

N-(adamantan-1-yl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetamide

IUPAC name

N-(adamantan-1-yl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetamide

SMILES

Cc1c(CC(NC2(CC(C3)C4)CC4CC3C2)=O)c(cc(cc2)OC)c2n1C(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C29H31ClN2O3/c1-17-24(13-27(33)31-29-14-18-9-19(15-29)11-20(10-18)16-29)25-12-23(35-2)7-8-26(25)32(17)28(34)21-3-5-22(30)6-4-21/h3-8,12,18-20H,9-11,13-16H2,1-2H3,(H,31,33)

InChI Key

JOHIXLHDLHQWFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03164655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.03

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.246

Distribution Coefficient, logD

6.246

Water Solubility, LogSw

-6.31

Polar Surface Area

46.817

Acid Dissociation Constant (pKa)

13.90

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

8012-3120 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8012-3120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-3120?
Check Price and Availability of 8012-3120, 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 8012-3120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-3120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-3120
  • 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 8012-3120 available by request