V017-2742 Screening compound: 2-[N-(butan-2-yl)-1-(2-chloro-4-nitrophenyl)formamido]-N-[(1-methyl-1H-pyrrol-2-yl)methyl]-N-(2-methylpropyl)acetamide

V017-2742 Screening compound: 2-[N-(butan-2-yl)-1-(2-chloro-4-nitrophenyl)formamido]-N-[(1-methyl-1H-pyrrol-2-yl)methyl]-N-(2-methylpropyl)acetamide
V017-2742 Screening compound: 2-[N-(butan-2-yl)-1-(2-chloro-4-nitrophenyl)formamido]-N-[(1-methyl-1H-pyrrol-2-yl)methyl]-N-(2-methylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-2742
2-[N-(butan-2-yl)-1-(2-chloro-4-nitrophenyl)formamido]-N-[(1-methyl-1H-pyrrol-2-yl)methyl]-N-(2-methylpropyl)acetamide

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

V017-2742

Molecular Formula

C23H31ClN4O4 (C23 H31 ClN4 O4)

Compound Name

2-[N-(butan-2-yl)-1-(2-chloro-4-nitrophenyl)formamido]-N-[(1-methyl-1H-pyrrol-2-yl)methyl]-N-(2-methylpropyl)acetamide

IUPAC name

2-[N-(butan-2-yl)-1-(2-chloro-4-nitrophenyl)formamido]-N-[(1-methyl-1H-pyrrol-2-yl)methyl]-N-(2-methylpropyl)acetamide

SMILES

CCC(C)N(CC(N(CC(C)C)Cc1cccn1C)=O)C(c(ccc([N+]([O-])=O)c1)c1Cl)=O

InChI

InChI=1S/C23H31ClN4O4/c1-6-17(4)27(23(30)20-10-9-18(28(31)32)12-21(20)24)15-22(29)26(13-16(2)3)14-19-8-7-11-25(19)5/h7-12,16-17H,6,13-15H2,1-5H3/t17-/m0/s1

InChI Key

YZYSFSMJWCJHFM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14243732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.582

Distribution Coefficient, logD

4.582

Water Solubility, LogSw

-4.89

Polar Surface Area

68.012

Acid Dissociation Constant (pKa)

22.25

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

V017-2742 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V017-2742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-2742?
Check Price and Availability of V017-2742, 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 V017-2742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-2742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-2742
  • 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 V017-2742 available by request