V012-3491 Screening compound: N5-(2-{BENZYL[(3-METHYL-2-THIENYL)METHYL]AMINO}-2-OXOETHYL)-N5-(SEC-BUTYL)-1

V012-3491 Screening compound: N5-(2-{BENZYL[(3-METHYL-2-THIENYL)METHYL]AMINO}-2-OXOETHYL)-N5-(SEC-BUTYL)-1
V012-3491 Screening compound: N5-(2-{BENZYL[(3-METHYL-2-THIENYL)METHYL]AMINO}-2-OXOETHYL)-N5-(SEC-BUTYL)-1 alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-3491
N5-(2-{BENZYL[(3-METHYL-2-THIENYL)METHYL]AMINO}-2-OXOETHYL)-N5-(SEC-BUTYL)-1

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

V012-3491

Molecular Formula

C27H30N2O4S (C27 H30 N2 O4 S)

Compound Name

N5-(2-{BENZYL[(3-METHYL-2-THIENYL)METHYL]AMINO}-2-OXOETHYL)-N5-(SEC-BUTYL)-1

IUPAC name

n/a

SMILES

CCC(C)N(CC(N(Cc1c(C)ccs1)Cc1ccccc1)=O)C(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C27H30N2O4S/c1-4-20(3)29(27(31)22-10-11-23-24(14-22)33-18-32-23)17-26(30)28(15-21-8-6-5-7-9-21)16-25-19(2)12-13-34-25/h5-14,20H,4,15-18H2,1-3H3/t20-/m0/s1

InChI Key

CVMSIXBIJCEMDH-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.61

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

5.115

Distribution Coefficient, logD

5.115

Water Solubility, LogSw

-5.04

Polar Surface Area

49.595

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

V012-3491 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 V012-3491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-3491?
Check Price and Availability of V012-3491, 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 V012-3491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-3491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-3491
  • 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 V012-3491 available by request