1488-0247 Screening compound: 4-fluoro-N-[4-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]benzamide

1488-0247 Screening compound: 4-fluoro-N-[4-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]benzamide
1488-0247 Screening compound: 4-fluoro-N-[4-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1488-0247
4-fluoro-N-[4-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]benzamide

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

1488-0247

Molecular Formula

C16H8F4N2O2S2 (C16 H8 F4 N2 O2 S2)

Compound Name

4-fluoro-N-[4-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]benzamide

IUPAC name

4-fluoro-N-[4-(thiophen-2-yl)-5-(222-trifluoroacetyl)-13-thiazol-2-yl]benzamide

SMILES

O=C(C(F)(F)F)c1c(-c2cccs2)nc(NC(c(cc2)ccc2F)=O)s1

InChI

InChI=1S/C16H8F4N2O2S2/c17-9-5-3-8(4-6-9)14(24)22-15-21-11(10-2-1-7-25-10)12(26-15)13(23)16(18,19)20/h1-7H,(H,21,22,24)

InChI Key

RWVAWTDFCIHRAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01531998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.809

Distribution Coefficient, logD

4.561

Water Solubility, LogSw

-4.96

Polar Surface Area

48.632

Acid Dissociation Constant (pKa)

7.51

Base Dissociation Constant (pKb)

-5.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

1488-0247 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1488-0247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1488-0247?
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What is the minimum amount of 1488-0247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1488-0247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1488-0247
  • 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 1488-0247 available by request