V030-1112 Screening compound: propan-2-yl 2-[(4-{[N-(2-methylpropyl)-1-(thiophen-2-yl)formamido]methyl}phenoxy)sulfonyl]benzoate

V030-1112 Screening compound: propan-2-yl 2-[(4-{[N-(2-methylpropyl)-1-(thiophen-2-yl)formamido]methyl}phenoxy)sulfonyl]benzoate
V030-1112 Screening compound: propan-2-yl 2-[(4-{[N-(2-methylpropyl)-1-(thiophen-2-yl)formamido]methyl}phenoxy)sulfonyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-1112
propan-2-yl 2-[(4-{[N-(2-methylpropyl)-1-(thiophen-2-yl)formamido]methyl}phenoxy)sulfonyl]benzoate

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

V030-1112

Molecular Formula

C26H29NO6S2 (C26 H29 NO6 S2)

Compound Name

propan-2-yl 2-[(4-{[N-(2-methylpropyl)-1-(thiophen-2-yl)formamido]methyl}phenoxy)sulfonyl]benzoate

IUPAC name

propan-2-yl 2-[(4-{[N-(2-methylpropyl)-1-(thiophen-2-yl)formamido]methyl}phenoxy)sulfonyl]benzoate

SMILES

CC(C)CN(Cc(cc1)ccc1OS(c(cccc1)c1C(OC(C)C)=O)(=O)=O)C(c1cccs1)=O

InChI

InChI=1S/C26H29NO6S2/c1-18(2)16-27(25(28)23-9-7-15-34-23)17-20-11-13-21(14-12-20)33-35(30,31)24-10-6-5-8-22(24)26(29)32-19(3)4/h5-15,18-19H,16-17H2,1-4H3

InChI Key

AKONPEHVNWALOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.332

Distribution Coefficient, logD

5.332

Water Solubility, LogSw

-5.28

Polar Surface Area

73.662

Acid Dissociation Constant (pKa)

25.52

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with V030-1112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-1112?
Check Price and Availability of V030-1112, 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 V030-1112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-1112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-1112
  • 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 V030-1112 available by request