S259-4253 Screening compound: N-{1-[(3,5-DIMETHYL-4-ISOXAZOLYL)METHYL]TETRAHYDRO-1H-PYRROL-3-YL}-2-PHENOXYACETAMIDE

S259-4253 Screening compound: N-{1-[(3,5-DIMETHYL-4-ISOXAZOLYL)METHYL]TETRAHYDRO-1H-PYRROL-3-YL}-2-PHENOXYACETAMIDE
S259-4253 Screening compound: N-{1-[(3,5-DIMETHYL-4-ISOXAZOLYL)METHYL]TETRAHYDRO-1H-PYRROL-3-YL}-2-PHENOXYACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S259-4253
N-{1-[(3,5-DIMETHYL-4-ISOXAZOLYL)METHYL]TETRAHYDRO-1H-PYRROL-3-YL}-2-PHENOXYACETAMIDE

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

S259-4253

Molecular Formula

C18H23N3O3 (C18 H23 N3 O3)

Compound Name

N-{1-[(3,5-DIMETHYL-4-ISOXAZOLYL)METHYL]TETRAHYDRO-1H-PYRROL-3-YL}-2-PHENOXYACETAMIDE

IUPAC name

n/a

SMILES

Cc1noc(C)c1CN(CC1)CC1NC(COc1ccccc1)=O

InChI

InChI=1S/C18H23N3O3/c1-13-17(14(2)24-20-13)11-21-9-8-15(10-21)19-18(22)12-23-16-6-4-3-5-7-16/h3-7,15H,8-12H2,1-2H3,(H,19,22)/t15-/m0/s1

InChI Key

KYYQLBKYXVEQOS-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD28042134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.640

Distribution Coefficient, logD

-1.437

Water Solubility, LogSw

-2.03

Polar Surface Area

57.541

Acid Dissociation Constant (pKa)

15.23

Base Dissociation Constant (pKb)

10.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

S259-4253 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S259-4253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S259-4253?
Check Price and Availability of S259-4253, 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 S259-4253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S259-4253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S259-4253
  • 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 S259-4253 available by request