V025-1641 Screening compound: (1S,4R,5R)-3-[(2-cyanobenzyl)oxy]-N~1~-(cyclopropylmethyl)-4,5-dihydroxy-1-{[3-(trifluoromethyl)benzyl]oxy}cyclohexane-1-carboxamide

V025-1641 Screening compound: (1S,4R,5R)-3-[(2-cyanobenzyl)oxy]-N~1~-(cyclopropylmethyl)-4,5-dihydroxy-1-{[3-(trifluoromethyl)benzyl]oxy}cyclohexane-1-carboxamide
V025-1641 Screening compound: (1S,4R,5R)-3-[(2-cyanobenzyl)oxy]-N~1~-(cyclopropylmethyl)-4,5-dihydroxy-1-{[3-(trifluoromethyl)benzyl]oxy}cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-1641
(1S,4R,5R)-3-[(2-cyanobenzyl)oxy]-N~1~-(cyclopropylmethyl)-4,5-dihydroxy-1-{[3-(trifluoromethyl)benzyl]oxy}cyclohexane-1-carboxamide

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

V025-1641

Molecular Formula

C27H29F3N2O5 (C27 H29 F3 N2 O5)

Compound Name

(1S,4R,5R)-3-[(2-cyanobenzyl)oxy]-N~1~-(cyclopropylmethyl)-4,5-dihydroxy-1-{[3-(trifluoromethyl)benzyl]oxy}cyclohexane-1-carboxamide

IUPAC name

(1S4R5R)-3-[(2-cyanophenyl)methoxy]-N-(cyclopropylmethyl)-45-dihydroxy-1-{[3-(trifluoromethyl)phenyl]methoxy}cyclohexane-1-carboxamide

SMILES

N#Cc1c(COC(C[C@@](C[C@H]2O)(C(NCC3CC3)=O)OCc3cccc(C(F)(F)F)c3)[C@@H]2O)cccc1

InChI

InChI=1S/C27H29F3N2O5/c28-27(29,30)21-7-3-4-18(10-21)15-37-26(25(35)32-14-17-8-9-17)11-22(33)24(34)23(12-26)36-16-20-6-2-1-5-19(20)13-31/h1-7,10,17,22-24,33-34H,8-9,11-12,14-16H2,(H,32,35)/t22-,23?,24-,26-/m0/s1

InChI Key

FXJYEORILGHXIA-PFMFOZISSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.653

Distribution Coefficient, logD

3.653

Water Solubility, LogSw

-4.01

Polar Surface Area

86.391

Acid Dissociation Constant (pKa)

14.25

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

48.10

V025-1641 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V025-1641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-1641?
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What is the minimum amount of V025-1641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-1641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-1641
  • 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 V025-1641 available by request