V001-8614 Screening compound: 3-(N-benzyl-1-{2-[(3-methylphenyl)amino]-1,3-thiazol-4-yl}formamido)-N-(4-fluorophenyl)propanamide

V001-8614 Screening compound: 3-(N-benzyl-1-{2-[(3-methylphenyl)amino]-1,3-thiazol-4-yl}formamido)-N-(4-fluorophenyl)propanamide
V001-8614 Screening compound: 3-(N-benzyl-1-{2-[(3-methylphenyl)amino]-1,3-thiazol-4-yl}formamido)-N-(4-fluorophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-8614
3-(N-benzyl-1-{2-[(3-methylphenyl)amino]-1,3-thiazol-4-yl}formamido)-N-(4-fluorophenyl)propanamide

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

V001-8614

Molecular Formula

C27H25FN4O2S (C27 H25 FN4 O2 S)

Compound Name

3-(N-benzyl-1-{2-[(3-methylphenyl)amino]-1,3-thiazol-4-yl}formamido)-N-(4-fluorophenyl)propanamide

IUPAC name

3-(N-benzyl-1-{2-[(3-methylphenyl)amino]-13-thiazol-4-yl}formamido)-N-(4-fluorophenyl)propanamide

SMILES

Cc1cccc(Nc2nc(C(N(CCC(Nc(cc3)ccc3F)=O)Cc3ccccc3)=O)cs2)c1

InChI

InChI=1S/C27H25FN4O2S/c1-19-6-5-9-23(16-19)30-27-31-24(18-35-27)26(34)32(17-20-7-3-2-4-8-20)15-14-25(33)29-22-12-10-21(28)11-13-22/h2-13,16,18H,14-15,17H2,1H3,(H,29,33)(H,30,31)

InChI Key

CWGGBQBAEYAXTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19794346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.692

Distribution Coefficient, logD

5.692

Water Solubility, LogSw

-5.40

Polar Surface Area

58.264

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with V001-8614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-8614?
Check Price and Availability of V001-8614, 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 V001-8614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-8614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-8614
  • 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 V001-8614 available by request