V030-6316 Screening compound: butyl 2-[(2-{[1-(2-chlorophenyl)-N-(propan-2-yl)formamido]methyl}-5-(diethylamino)phenoxy)sulfonyl]benzoate

V030-6316 Screening compound: butyl 2-[(2-{[1-(2-chlorophenyl)-N-(propan-2-yl)formamido]methyl}-5-(diethylamino)phenoxy)sulfonyl]benzoate
V030-6316 Screening compound: butyl 2-[(2-{[1-(2-chlorophenyl)-N-(propan-2-yl)formamido]methyl}-5-(diethylamino)phenoxy)sulfonyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-6316
butyl 2-[(2-{[1-(2-chlorophenyl)-N-(propan-2-yl)formamido]methyl}-5-(diethylamino)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

V030-6316

Molecular Formula

C32H39ClN2O6S (C32 H39 ClN2 O6 S)

Compound Name

butyl 2-[(2-{[1-(2-chlorophenyl)-N-(propan-2-yl)formamido]methyl}-5-(diethylamino)phenoxy)sulfonyl]benzoate

IUPAC name

butyl 2-[(2-{[1-(2-chlorophenyl)-N-(propan-2-yl)formamido]methyl}-5-(diethylamino)phenoxy)sulfonyl]benzoate

SMILES

CCCCOC(c(cccc1)c1S(Oc1c(CN(C(C)C)C(c(cccc2)c2Cl)=O)ccc(N(CC)CC)c1)(=O)=O)=O

InChI

InChI=1S/C32H39ClN2O6S/c1-6-9-20-40-32(37)27-15-11-13-17-30(27)42(38,39)41-29-21-25(34(7-2)8-3)19-18-24(29)22-35(23(4)5)31(36)26-14-10-12-16-28(26)33/h10-19,21,23H,6-9,20,22H2,1-5H3

InChI Key

NVJIYULOYXQMIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499306

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

615.19

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.078

Distribution Coefficient, logD

7.067

Water Solubility, LogSw

-6.28

Polar Surface Area

75.825

Acid Dissociation Constant (pKa)

26.12

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

V030-6316 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V030-6316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-6316?
Check Price and Availability of V030-6316, 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 V030-6316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-6316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-6316
  • 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 V030-6316 available by request