Y041-4207 Screening compound: ethyl 2-(2-{[2-(6-fluoro-1H-indol-1-yl)acetyl]amino}-1,3-thiazol-4-yl)acetate

Y041-4207 Screening compound: ethyl 2-(2-{[2-(6-fluoro-1H-indol-1-yl)acetyl]amino}-1,3-thiazol-4-yl)acetate
Y041-4207 Screening compound: ethyl 2-(2-{[2-(6-fluoro-1H-indol-1-yl)acetyl]amino}-1,3-thiazol-4-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4207
ethyl 2-(2-{[2-(6-fluoro-1H-indol-1-yl)acetyl]amino}-1,3-thiazol-4-yl)acetate

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

Y041-4207

Molecular Formula

C17H16FN3O3S (C17 H16 FN3 O3 S)

Compound Name

ethyl 2-(2-{[2-(6-fluoro-1H-indol-1-yl)acetyl]amino}-1,3-thiazol-4-yl)acetate

IUPAC name

ethyl 2-{2-[2-(6-fluoro-1H-indol-1-yl)acetamido]-13-thiazol-4-yl}acetate

SMILES

CCOC(Cc1csc(NC(Cn(cc2)c3c2ccc(F)c3)=O)n1)=O

InChI

InChI=1S/C17H16FN3O3S/c1-2-24-16(23)8-13-10-25-17(19-13)20-15(22)9-21-6-5-11-3-4-12(18)7-14(11)21/h3-7,10H,2,8-9H2,1H3,(H,19,20,22)

InChI Key

RANCMPQTOBWBLH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.493

Distribution Coefficient, logD

3.487

Water Solubility, LogSw

-3.72

Polar Surface Area

55.927

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

Y041-4207 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 Y041-4207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4207?
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What is the minimum amount of Y041-4207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4207
  • 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 Y041-4207 available by request