V013-8254 Screening compound: 5-amino-4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyethyl)-2,3-dihydro-1H-pyrrol-3-one

V013-8254 Screening compound: 5-amino-4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyethyl)-2,3-dihydro-1H-pyrrol-3-one
V013-8254 Screening compound: 5-amino-4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyethyl)-2,3-dihydro-1H-pyrrol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-8254
5-amino-4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyethyl)-2,3-dihydro-1H-pyrrol-3-one

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

V013-8254

Molecular Formula

C21H17F2N3O2S (C21 H17 F2 N3 O2 S)

Compound Name

5-amino-4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyethyl)-2,3-dihydro-1H-pyrrol-3-one

IUPAC name

5-amino-4-[4-(34-difluorophenyl)-13-thiazol-2-yl]-1-(2-phenoxyethyl)-23-dihydro-1H-pyrrol-3-one

SMILES

NC(N(CCOc1ccccc1)CC1=O)=C1c1nc(-c(cc2)cc(F)c2F)cs1

InChI

InChI=1S/C21H17F2N3O2S/c22-15-7-6-13(10-16(15)23)17-12-29-21(25-17)19-18(27)11-26(20(19)24)8-9-28-14-4-2-1-3-5-14/h1-7,10,12H,8-9,11,24H2

InChI Key

BGEKOJADCUISPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14265130

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

413.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.627

Distribution Coefficient, logD

4.627

Water Solubility, LogSw

-4.80

Polar Surface Area

54.275

Acid Dissociation Constant (pKa)

16.79

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with V013-8254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-8254?
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What is the minimum amount of V013-8254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-8254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-8254
  • 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 V013-8254 available by request