1255-0046 Screening compound: N-(4-bromophenyl)-3-chloroadamantane-1-carboxamide

1255-0046 Screening compound: N-(4-bromophenyl)-3-chloroadamantane-1-carboxamide
1255-0046 Screening compound: N-(4-bromophenyl)-3-chloroadamantane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1255-0046
N-(4-bromophenyl)-3-chloroadamantane-1-carboxamide

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

1255-0046

Molecular Formula

C17H19BrClNO (C17 H19 BrClNO)

Compound Name

N-(4-bromophenyl)-3-chloroadamantane-1-carboxamide

IUPAC name

N-(4-bromophenyl)-3-chloroadamantane-1-carboxamide

SMILES

O=C(C(CC(C1)C2)(CC1C1)CC12Cl)Nc(cc1)ccc1Br

InChI

InChI=1S/C17H19BrClNO/c18-13-1-3-14(4-2-13)20-15(21)16-6-11-5-12(7-16)9-17(19,8-11)10-16/h1-4,11-12H,5-10H2,(H,20,21)

InChI Key

WPJVETHVKBINCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01837541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.7

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.577

Distribution Coefficient, logD

5.575

Water Solubility, LogSw

-6.05

Polar Surface Area

23.363

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

1255-0046 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1255-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1255-0046?
Check Price and Availability of 1255-0046, 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 1255-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1255-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1255-0046
  • 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 1255-0046 available by request