V028-4963 Screening compound: 1-(2-{4-[(2-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-(prop-2-en-1-yl)-3-(propan-2-yl)urea

V028-4963 Screening compound: 1-(2-{4-[(2-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-(prop-2-en-1-yl)-3-(propan-2-yl)urea
V028-4963 Screening compound: 1-(2-{4-[(2-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-(prop-2-en-1-yl)-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-4963
1-(2-{4-[(2-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-(prop-2-en-1-yl)-3-(propan-2-yl)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

V028-4963

Molecular Formula

C24H31N3O3S (C24 H31 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)NC(N(CC=C)CC(N(CC1)C(COc2c(C)cccc2)c2c1scc2)=O)=O

InChI

InChI=1S/C24H31N3O3S/c1-5-12-26(24(29)25-17(2)3)15-23(28)27-13-10-22-19(11-14-31-22)20(27)16-30-21-9-7-6-8-18(21)4/h5-9,11,14,17,20H,1,10,12-13,15-16H2,2-4H3,(H,25,29)/t20-/m0/s1

InChI Key

HUQSLDOVSUQTQR-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19867831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.59

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

4.722

Distribution Coefficient, logD

4.722

Water Solubility, LogSw

-4.40

Polar Surface Area

49.740

Acid Dissociation Constant (pKa)

16.78

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

V028-4963 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 V028-4963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-4963?
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What is the minimum amount of V028-4963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-4963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-4963
  • 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 V028-4963 available by request