L928-0042 Screening compound: 1-[1]benzofuro[3,2-d]pyrimidin-4-yl-N~4~-(4-bromobenzyl)-4-piperidinecarboxamide

L928-0042 Screening compound: 1-[1]benzofuro[3,2-d]pyrimidin-4-yl-N~4~-(4-bromobenzyl)-4-piperidinecarboxamide
L928-0042 Screening compound: 1-[1]benzofuro[3,2-d]pyrimidin-4-yl-N~4~-(4-bromobenzyl)-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L928-0042
1-[1]benzofuro[3,2-d]pyrimidin-4-yl-N~4~-(4-bromobenzyl)-4-piperidinecarboxamide

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

L928-0042

Molecular Formula

C23H21BrN4O2 (C23 H21 BrN4 O2)

Compound Name

1-[1]benzofuro[3,2-d]pyrimidin-4-yl-N~4~-(4-bromobenzyl)-4-piperidinecarboxamide

IUPAC name

N-[(4-bromophenyl)methyl]-1-{8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaen-6-yl}piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1c1ncnc2c1oc1c2cccc1)NCc(cc1)ccc1Br

InChI

InChI=1S/C23H21BrN4O2/c24-17-7-5-15(6-8-17)13-25-23(29)16-9-11-28(12-10-16)22-21-20(26-14-27-22)18-3-1-2-4-19(18)30-21/h1-8,14,16H,9-13H2,(H,25,29)

InChI Key

UFXDVAPPTJJGRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20750347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.667

Distribution Coefficient, logD

4.641

Water Solubility, LogSw

-4.56

Polar Surface Area

56.752

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

6.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

L928-0042 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with L928-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L928-0042?
Check Price and Availability of L928-0042, 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 L928-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L928-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L928-0042
  • 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 L928-0042 available by request