V030-5681 Screening compound: 2-{4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl}-4-(pyrrolidine-1-carbonyl)-1,3-thiazole

V030-5681 Screening compound: 2-{4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl}-4-(pyrrolidine-1-carbonyl)-1,3-thiazole
V030-5681 Screening compound: 2-{4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl}-4-(pyrrolidine-1-carbonyl)-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-5681
2-{4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl}-4-(pyrrolidine-1-carbonyl)-1,3-thiazole

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

V030-5681

Molecular Formula

C21H17F3N2O2S (C21 H17 F3 N2 O2 S)

Compound Name

2-{4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl}-4-(pyrrolidine-1-carbonyl)-1,3-thiazole

IUPAC name

2-{4-[(24-difluorophenyl)methoxy]-2-fluorophenyl}-4-(pyrrolidine-1-carbonyl)-13-thiazole

SMILES

O=C(c1csc(-c(ccc(OCc(ccc(F)c2)c2F)c2)c2F)n1)N1CCCC1

InChI

InChI=1S/C21H17F3N2O2S/c22-14-4-3-13(17(23)9-14)11-28-15-5-6-16(18(24)10-15)20-25-19(12-29-20)21(27)26-7-1-2-8-26/h3-6,9-10,12H,1-2,7-8,11H2

InChI Key

MDTFKJYFORHRNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19926692

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

418.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.258

Distribution Coefficient, logD

5.258

Water Solubility, LogSw

-5.38

Polar Surface Area

34.214

Acid Dissociation Constant (pKa)

28.00

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

V030-5681 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 V030-5681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-5681?
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What is the minimum amount of V030-5681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-5681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-5681
  • 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 V030-5681 available by request