V008-3839 Screening compound: N-{[5-(4-chlorobutanamido)-2-(dimethylamino)phenyl]methyl}-N-[(furan-2-yl)methyl]thiophene-2-carboxamide

V008-3839 Screening compound: N-{[5-(4-chlorobutanamido)-2-(dimethylamino)phenyl]methyl}-N-[(furan-2-yl)methyl]thiophene-2-carboxamide
V008-3839 Screening compound: N-{[5-(4-chlorobutanamido)-2-(dimethylamino)phenyl]methyl}-N-[(furan-2-yl)methyl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-3839
N-{[5-(4-chlorobutanamido)-2-(dimethylamino)phenyl]methyl}-N-[(furan-2-yl)methyl]thiophene-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

V008-3839

Molecular Formula

C23H26ClN3O3S (C23 H26 ClN3 O3 S)

Compound Name

N-{[5-(4-chlorobutanamido)-2-(dimethylamino)phenyl]methyl}-N-[(furan-2-yl)methyl]thiophene-2-carboxamide

IUPAC name

N-{[5-(4-chlorobutanamido)-2-(dimethylamino)phenyl]methyl}-N-[(furan-2-yl)methyl]thiophene-2-carboxamide

SMILES

CN(C)c(cc1)c(CN(Cc2ccco2)C(c2cccs2)=O)cc1NC(CCCCl)=O

InChI

InChI=1S/C23H26ClN3O3S/c1-26(2)20-10-9-18(25-22(28)8-3-11-24)14-17(20)15-27(16-19-6-4-12-30-19)23(29)21-7-5-13-31-21/h4-7,9-10,12-14H,3,8,11,15-16H2,1-2H3,(H,25,28)

InChI Key

KNDFOAWXVXVILH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19973260

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

460

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.272

Distribution Coefficient, logD

4.257

Water Solubility, LogSw

-4.21

Polar Surface Area

50.598

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

V008-3839 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V008-3839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-3839?
Check Price and Availability of V008-3839, 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 V008-3839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-3839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-3839
  • 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 V008-3839 available by request