V016-5169 Screening compound: 2-[(cyclopropylmethyl)(2-hydroxyhex-5-en-1-yl)amino]-1-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-one

V016-5169 Screening compound: 2-[(cyclopropylmethyl)(2-hydroxyhex-5-en-1-yl)amino]-1-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-one
V016-5169 Screening compound: 2-[(cyclopropylmethyl)(2-hydroxyhex-5-en-1-yl)amino]-1-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-5169
2-[(cyclopropylmethyl)(2-hydroxyhex-5-en-1-yl)amino]-1-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-one

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

V016-5169

Molecular Formula

C26H33FN2O3S (C26 H33 FN2 O3 S)

Compound Name

2-[(cyclopropylmethyl)(2-hydroxyhex-5-en-1-yl)amino]-1-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-one

IUPAC name

2-[(cyclopropylmethyl)(2-hydroxyhex-5-en-1-yl)amino]-1-{4-[(3-fluorophenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}ethan-1-one

SMILES

C=CCCC(CN(CC1CC1)CC(N(CC1)C(COc2cc(F)ccc2)c2c1scc2)=O)O

InChI

InChI=1S/C26H33FN2O3S/c1-2-3-6-21(30)16-28(15-19-8-9-19)17-26(31)29-12-10-25-23(11-13-33-25)24(29)18-32-22-7-4-5-20(27)14-22/h2,4-5,7,11,13-14,19,21,24,30H,1,3,6,8-10,12,15-18H2

InChI Key

BHQICWLBKGLYLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19882539

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

472.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.806

Distribution Coefficient, logD

4.591

Water Solubility, LogSw

-4.72

Polar Surface Area

44.930

Acid Dissociation Constant (pKa)

16.82

Base Dissociation Constant (pKb)

7.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with V016-5169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-5169?
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What is the minimum amount of V016-5169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-5169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-5169
  • 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 V016-5169 available by request