V014-1002 Screening compound: 1-[({1-[4-(tert-butyl)benzyl]-1H-pyrrol-2-yl}methyl)(isopentyl)amino]-3-(2-furylmethoxy)-2-propanol

V014-1002 Screening compound: 1-[({1-[4-(tert-butyl)benzyl]-1H-pyrrol-2-yl}methyl)(isopentyl)amino]-3-(2-furylmethoxy)-2-propanol
V014-1002 Screening compound: 1-[({1-[4-(tert-butyl)benzyl]-1H-pyrrol-2-yl}methyl)(isopentyl)amino]-3-(2-furylmethoxy)-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-1002
1-[({1-[4-(tert-butyl)benzyl]-1H-pyrrol-2-yl}methyl)(isopentyl)amino]-3-(2-furylmethoxy)-2-propanol

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

V014-1002

Molecular Formula

C29H42N2O3 (C29 H42 N2 O3)

Compound Name

1-[({1-[4-(tert-butyl)benzyl]-1H-pyrrol-2-yl}methyl)(isopentyl)amino]-3-(2-furylmethoxy)-2-propanol

IUPAC name

({1-[(4-tert-butylphenyl)methyl]-1H-pyrrol-2-yl}methyl)({3-[(furan-2-yl)methoxy]-2-hydroxypropyl})(3-methylbutyl)amine

SMILES

CC(C)CCN(CC(COCc1ccco1)O)Cc1cccn1Cc1ccc(C(C)(C)C)cc1

InChI

InChI=1S/C29H42N2O3/c1-23(2)14-16-30(20-27(32)21-33-22-28-9-7-17-34-28)19-26-8-6-15-31(26)18-24-10-12-25(13-11-24)29(3,4)5/h6-13,15,17,23,27,32H,14,16,18-22H2,1-5H3/t27-/m0/s1

InChI Key

WMIJHQVOYGEUIE-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19772748

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

466.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.412

Distribution Coefficient, logD

6.333

Water Solubility, LogSw

-5.84

Polar Surface Area

38.801

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.72

References: we are preparing a list of scientific research reports with V014-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-1002?
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What is the minimum amount of V014-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-1002
  • 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 V014-1002 available by request