V014-7513 Screening compound: 1-[cyclohexyl({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]-3-(2-methylphenoxy)propan-2-ol

V014-7513 Screening compound: 1-[cyclohexyl({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]-3-(2-methylphenoxy)propan-2-ol
V014-7513 Screening compound: 1-[cyclohexyl({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]-3-(2-methylphenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-7513
1-[cyclohexyl({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]-3-(2-methylphenoxy)propan-2-ol

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

V014-7513

Molecular Formula

C28H35FN2O2 (C28 H35 FN2 O2)

Compound Name

1-[cyclohexyl({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]-3-(2-methylphenoxy)propan-2-ol

IUPAC name

1-[cyclohexyl({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]-3-(2-methylphenoxy)propan-2-ol

SMILES

Cc(cccc1)c1OCC(CN(Cc1cccn1Cc1cccc(F)c1)C1CCCCC1)O

InChI

InChI=1S/C28H35FN2O2/c1-22-9-5-6-15-28(22)33-21-27(32)20-31(25-12-3-2-4-13-25)19-26-14-8-16-30(26)18-23-10-7-11-24(29)17-23/h5-11,14-17,25,27,32H,2-4,12-13,18-21H2,1H3/t27-/m0/s1

InChI Key

OFCWEYKWPMABAI-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19772592

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

450.6

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.248

Distribution Coefficient, logD

6.168

Water Solubility, LogSw

-5.49

Polar Surface Area

29.091

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

V014-7513 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V014-7513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-7513?
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What is the minimum amount of V014-7513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-7513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-7513
  • 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 V014-7513 available by request