V027-1027 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-(cyclopropylmethyl)-1-(2-fluorophenyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide

V027-1027 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-(cyclopropylmethyl)-1-(2-fluorophenyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide
V027-1027 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-(cyclopropylmethyl)-1-(2-fluorophenyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-1027
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-(cyclopropylmethyl)-1-(2-fluorophenyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]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

V027-1027

Molecular Formula

C27H27FN2O4S (C27 H27 FN2 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-(cyclopropylmethyl)-1-(2-fluorophenyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[N-(cyclopropylmethyl)-1-(2-fluorophenyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide

SMILES

Cc1c(CN(Cc(cc2)cc3c2OCO3)C(CN(CC2CC2)C(c(cccc2)c2F)=O)=O)scc1

InChI

InChI=1S/C27H27FN2O4S/c1-18-10-11-35-25(18)15-29(14-20-8-9-23-24(12-20)34-17-33-23)26(31)16-30(13-19-6-7-19)27(32)21-4-2-3-5-22(21)28/h2-5,8-12,19H,6-7,13-17H2,1H3

InChI Key

XSZXJQBMTYIHTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10459665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.720

Distribution Coefficient, logD

4.720

Water Solubility, LogSw

-4.60

Polar Surface Area

50.519

Acid Dissociation Constant (pKa)

21.59

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V027-1027 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V027-1027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-1027?
Check Price and Availability of V027-1027, 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 V027-1027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-1027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-1027
  • 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 V027-1027 available by request