2995-0509 Screening compound: N1-[3-(4

2995-0509 Screening compound: N1-[3-(4
2995-0509 Screening compound: N1-[3-(4 alternative view

Chemical Structure Depiction of ChemDiv screening compound 2995-0509
N1-[3-(4

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

2995-0509

Molecular Formula

C22H27N3O6S (C22 H27 N3 O6 S)

Compound Name

N1-[3-(4

IUPAC name

n/a

SMILES

CC(C)(C(N1CC(CN(c(cccc2)c2OC)S(c2ccc(C)cc2)(=O)=O)O)=O)NC1=O

InChI

InChI=1S/C22H27N3O6S/c1-15-9-11-17(12-10-15)32(29,30)25(18-7-5-6-8-19(18)31-4)14-16(26)13-24-20(27)22(2,3)23-21(24)28/h5-12,16,26H,13-14H2,1-4H3,(H,23,28)/t16-/m1/s1

InChI Key

GBSRSSHSJWMPNZ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD00326712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.145

Distribution Coefficient, logD

2.145

Water Solubility, LogSw

-2.73

Polar Surface Area

96.894

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.00

2995-0509 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2995-0509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2995-0509?
Check Price and Availability of 2995-0509, 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 2995-0509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2995-0509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2995-0509
  • 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 2995-0509 available by request