V006-0782 Screening compound: 3-ethyl-1-[(furan-2-yl)methyl]-1-(2-{4-[(4-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)urea

V006-0782 Screening compound: 3-ethyl-1-[(furan-2-yl)methyl]-1-(2-{4-[(4-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)urea
V006-0782 Screening compound: 3-ethyl-1-[(furan-2-yl)methyl]-1-(2-{4-[(4-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-0782
3-ethyl-1-[(furan-2-yl)methyl]-1-(2-{4-[(4-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)urea

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

V006-0782

Molecular Formula

C25H29N3O4S (C25 H29 N3 O4 S)

Compound Name

3-ethyl-1-[(furan-2-yl)methyl]-1-(2-{4-[(4-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)urea

IUPAC name

3-ethyl-1-[(furan-2-yl)methyl]-1-(2-{4-[(4-methylphenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)urea

SMILES

CCNC(N(CC(N(CC1)C(COc2ccc(C)cc2)c2c1scc2)=O)Cc1ccco1)=O

InChI

InChI=1S/C25H29N3O4S/c1-3-26-25(30)27(15-20-5-4-13-31-20)16-24(29)28-12-10-23-21(11-14-33-23)22(28)17-32-19-8-6-18(2)7-9-19/h4-9,11,13-14,22H,3,10,12,15-17H2,1-2H3,(H,26,30)/t22-/m0/s1

InChI Key

NKWCFQXEDQWSFS-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19867566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.312

Distribution Coefficient, logD

4.312

Water Solubility, LogSw

-3.99

Polar Surface Area

57.804

Acid Dissociation Constant (pKa)

16.72

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with V006-0782 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V006-0782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-0782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-0782
  • 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 V006-0782 available by request