V001-0620 Screening compound: (2E)-N-butyl-N-({[2-(3,4-dimethoxyphenyl)ethyl][(5-methylthiophen-2-yl)methyl]carbamoyl}methyl)-3-(4-nitrophenyl)prop-2-enamide

V001-0620 Screening compound: (2E)-N-butyl-N-({[2-(3,4-dimethoxyphenyl)ethyl][(5-methylthiophen-2-yl)methyl]carbamoyl}methyl)-3-(4-nitrophenyl)prop-2-enamide
V001-0620 Screening compound: (2E)-N-butyl-N-({[2-(3,4-dimethoxyphenyl)ethyl][(5-methylthiophen-2-yl)methyl]carbamoyl}methyl)-3-(4-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-0620
(2E)-N-butyl-N-({[2-(3,4-dimethoxyphenyl)ethyl][(5-methylthiophen-2-yl)methyl]carbamoyl}methyl)-3-(4-nitrophenyl)prop-2-enamide

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

V001-0620

Molecular Formula

C31H37N3O6S (C31 H37 N3 O6 S)

Compound Name

(2E)-N-butyl-N-({[2-(3,4-dimethoxyphenyl)ethyl][(5-methylthiophen-2-yl)methyl]carbamoyl}methyl)-3-(4-nitrophenyl)prop-2-enamide

IUPAC name

(2E)-N-butyl-N-({[2-(34-dimethoxyphenyl)ethyl][(5-methylthiophen-2-yl)methyl]carbamoyl}methyl)-3-(4-nitrophenyl)prop-2-enamide

SMILES

CCCCN(CC(N(CCc(cc1)cc(OC)c1OC)Cc1ccc(C)s1)=O)C(/C=C/c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C31H37N3O6S/c1-5-6-18-32(30(35)16-11-24-8-12-26(13-9-24)34(37)38)22-31(36)33(21-27-14-7-23(2)41-27)19-17-25-10-15-28(39-3)29(20-25)40-4/h7-16,20H,5-6,17-19,21-22H2,1-4H3

InChI Key

QGEJKHVQIVBAQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19765958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.72

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.683

Distribution Coefficient, logD

5.683

Water Solubility, LogSw

-5.36

Polar Surface Area

81.223

Acid Dissociation Constant (pKa)

22.36

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.50

V001-0620 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V001-0620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-0620?
Check Price and Availability of V001-0620, 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 V001-0620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-0620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-0620
  • 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 V001-0620 available by request