E235-1829 Screening compound: N7-[3-(2

E235-1829 Screening compound: N7-[3-(2
E235-1829 Screening compound: N7-[3-(2 alternative view

Chemical Structure Depiction of ChemDiv screening compound E235-1829
N7-[3-(2

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

E235-1829

Molecular Formula

C26H29FN4OS (C26 H29 FN4 OS)

Compound Name

N7-[3-(2

IUPAC name

n/a

SMILES

CC1N(CCCNC(c(cc2)cc(s3)c2n2c3nc(-c(cc3)ccc3F)c2)=O)C(C)CCC1

InChI

InChI=1S/C26H29FN4OS/c1-17-5-3-6-18(2)30(17)14-4-13-28-25(32)20-9-12-23-24(15-20)33-26-29-22(16-31(23)26)19-7-10-21(27)11-8-19/h7-12,15-18H,3-6,13-14H2,1-2H3,(H,28,32)

InChI Key

NRSZQZBDFKMGGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14851728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.989

Distribution Coefficient, logD

1.888

Water Solubility, LogSw

-4.54

Polar Surface Area

35.738

Acid Dissociation Constant (pKa)

14.49

Base Dissociation Constant (pKb)

10.50

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.50

E235-1829 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E235-1829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E235-1829?
Check Price and Availability of E235-1829, 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 E235-1829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E235-1829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E235-1829
  • 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 E235-1829 available by request