V005-0655 Screening compound: N-[(4-fluorophenyl)methyl]-4-({[5-(3-methoxyphenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V005-0655 Screening compound: N-[(4-fluorophenyl)methyl]-4-({[5-(3-methoxyphenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V005-0655 Screening compound: N-[(4-fluorophenyl)methyl]-4-({[5-(3-methoxyphenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-0655
N-[(4-fluorophenyl)methyl]-4-({[5-(3-methoxyphenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)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

V005-0655

Molecular Formula

C28H29FN4O3S (C28 H29 FN4 O3 S)

Compound Name

N-[(4-fluorophenyl)methyl]-4-({[5-(3-methoxyphenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

IUPAC name

N-[(4-fluorophenyl)methyl]-4-({[5-(3-methoxyphenyl)-4-(1-methoxypropan-2-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzamide

SMILES

CC(COC)n1c(SCc(cc2)ccc2C(NCc(cc2)ccc2F)=O)nnc1-c1cc(OC)ccc1

InChI

InChI=1S/C28H29FN4O3S/c1-19(17-35-2)33-26(23-5-4-6-25(15-23)36-3)31-32-28(33)37-18-21-7-11-22(12-8-21)27(34)30-16-20-9-13-24(29)14-10-20/h4-15,19H,16-18H2,1-3H3,(H,30,34)/t19-/m0/s1

InChI Key

SMSRYFSSYQZROT-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27499153

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

520.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.509

Distribution Coefficient, logD

4.509

Water Solubility, LogSw

-4.31

Polar Surface Area

65.282

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V005-0655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-0655?
Check Price and Availability of V005-0655, 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 V005-0655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-0655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-0655
  • 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 V005-0655 available by request