V012-4489 Screening compound: N-{6-[4-(3-METHYLBUTANOYL)-1,4-DIAZEPAN-1-YL]PYRIDIN-3-YL}FURAN-2-CARBOXAMIDE

V012-4489 Screening compound: N-{6-[4-(3-METHYLBUTANOYL)-1,4-DIAZEPAN-1-YL]PYRIDIN-3-YL}FURAN-2-CARBOXAMIDE
V012-4489 Screening compound: N-{6-[4-(3-METHYLBUTANOYL)-1,4-DIAZEPAN-1-YL]PYRIDIN-3-YL}FURAN-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-4489
N-{6-[4-(3-METHYLBUTANOYL)-1,4-DIAZEPAN-1-YL]PYRIDIN-3-YL}FURAN-2-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

V012-4489

Molecular Formula

C20H26N4O3 (C20 H26 N4 O3)

Compound Name

N-{6-[4-(3-METHYLBUTANOYL)-1,4-DIAZEPAN-1-YL]PYRIDIN-3-YL}FURAN-2-CARBOXAMIDE

IUPAC name

n/a

SMILES

CC(C)CC(N(CCC1)CCN1c(cc1)ncc1NC(c1ccco1)=O)=O

InChI

InChI=1S/C20H26N4O3/c1-15(2)13-19(25)24-9-4-8-23(10-11-24)18-7-6-16(14-21-18)22-20(26)17-5-3-12-27-17/h3,5-7,12,14-15H,4,8-11,13H2,1-2H3,(H,22,26)

InChI Key

RIUCRXGGIOGQAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19911309

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.173

Distribution Coefficient, logD

3.172

Water Solubility, LogSw

-3.30

Polar Surface Area

60.493

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

V012-4489 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V012-4489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-4489?
Check Price and Availability of V012-4489, 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 V012-4489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-4489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-4489
  • 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 V012-4489 available by request