5591-2013 Screening compound: methyl 2-tert-butyl-5-(2,4,5-trimethylbenzenesulfonamido)naphtho[1,2-b]furan-3-carboxylate

5591-2013 Screening compound: methyl 2-tert-butyl-5-(2,4,5-trimethylbenzenesulfonamido)naphtho[1,2-b]furan-3-carboxylate
5591-2013 Screening compound: methyl 2-tert-butyl-5-(2,4,5-trimethylbenzenesulfonamido)naphtho[1,2-b]furan-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-2013
methyl 2-tert-butyl-5-(2,4,5-trimethylbenzenesulfonamido)naphtho[1,2-b]furan-3-carboxylate

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

5591-2013

Molecular Formula

C27H29NO5S (C27 H29 NO5 S)

Compound Name

methyl 2-tert-butyl-5-(2,4,5-trimethylbenzenesulfonamido)naphtho[1,2-b]furan-3-carboxylate

IUPAC name

methyl 2-tert-butyl-5-(245-trimethylbenzenesulfonamido)naphtho[12-b]furan-3-carboxylate

SMILES

CC(C)(C)c1c(C(OC)=O)c(cc(c2ccccc22)NS(c3c(C)cc(C)c(C)c3)(=O)=O)c2o1

InChI

InChI=1S/C27H29NO5S/c1-15-12-17(3)22(13-16(15)2)34(30,31)28-21-14-20-23(26(29)32-7)25(27(4,5)6)33-24(20)19-11-9-8-10-18(19)21/h8-14,28H,1-7H3

InChI Key

LWXGPSPPUNYPHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03471158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.029

Distribution Coefficient, logD

6.976

Water Solubility, LogSw

-6.00

Polar Surface Area

69.851

Acid Dissociation Constant (pKa)

8.28

Base Dissociation Constant (pKb)

-8.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with 5591-2013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-2013?
Check Price and Availability of 5591-2013, 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 5591-2013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-2013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-2013
  • 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 5591-2013 available by request