V013-5716 Screening compound: 3-ETHYL-1-(2-{4-[(2-FLUOROPHENOXY)METHYL]-4H,5H,6H,7H-THIENO[3,2-C]PYRIDIN-5-YL}-2-OXOETHYL)-1-PROPYLUREA

V013-5716 Screening compound: 3-ETHYL-1-(2-{4-[(2-FLUOROPHENOXY)METHYL]-4H,5H,6H,7H-THIENO[3,2-C]PYRIDIN-5-YL}-2-OXOETHYL)-1-PROPYLUREA
V013-5716 Screening compound: 3-ETHYL-1-(2-{4-[(2-FLUOROPHENOXY)METHYL]-4H,5H,6H,7H-THIENO[3,2-C]PYRIDIN-5-YL}-2-OXOETHYL)-1-PROPYLUREA alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-5716
3-ETHYL-1-(2-{4-[(2-FLUOROPHENOXY)METHYL]-4H,5H,6H,7H-THIENO[3,2-C]PYRIDIN-5-YL}-2-OXOETHYL)-1-PROPYLUREA

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

V013-5716

Molecular Formula

C22H28FN3O3S (C22 H28 FN3 O3 S)

Compound Name

3-ETHYL-1-(2-{4-[(2-FLUOROPHENOXY)METHYL]-4H,5H,6H,7H-THIENO[3,2-C]PYRIDIN-5-YL}-2-OXOETHYL)-1-PROPYLUREA

IUPAC name

n/a

SMILES

CCCN(CC(N(CC1)C(COc(cccc2)c2F)c2c1scc2)=O)C(NCC)=O

InChI

InChI=1S/C22H28FN3O3S/c1-3-11-25(22(28)24-4-2)14-21(27)26-12-9-20-16(10-13-30-20)18(26)15-29-19-8-6-5-7-17(19)23/h5-8,10,13,18H,3-4,9,11-12,14-15H2,1-2H3,(H,24,28)/t18-/m0/s1

InChI Key

UXOAYCMRZBTOJP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19867644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.964

Distribution Coefficient, logD

3.964

Water Solubility, LogSw

-3.89

Polar Surface Area

50.392

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

V013-5716 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V013-5716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-5716?
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What is the minimum amount of V013-5716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-5716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-5716
  • 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 V013-5716 available by request