V023-4643 Screening compound: 1-(2-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-(3-methylbutyl)-3-(propan-2-yl)urea

V023-4643 Screening compound: 1-(2-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-(3-methylbutyl)-3-(propan-2-yl)urea
V023-4643 Screening compound: 1-(2-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-(3-methylbutyl)-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-4643
1-(2-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-(3-methylbutyl)-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

V023-4643

Molecular Formula

C25H34ClN3O3S (C25 H34 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCN(CC(N(CC1)C(COc(cc2)ccc2Cl)c2c1scc2)=O)C(NC(C)C)=O

InChI

InChI=1S/C25H34ClN3O3S/c1-17(2)9-12-28(25(31)27-18(3)4)15-24(30)29-13-10-23-21(11-14-33-23)22(29)16-32-20-7-5-19(26)6-8-20/h5-8,11,14,17-18,22H,9-10,12-13,15-16H2,1-4H3,(H,27,31)/t22-/m0/s1

InChI Key

WOCVBJUXTJTIMU-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19865204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.08

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.784

Distribution Coefficient, logD

5.784

Water Solubility, LogSw

-5.99

Polar Surface Area

49.653

Acid Dissociation Constant (pKa)

16.86

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

V023-4643 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 V023-4643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-4643?
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What is the minimum amount of V023-4643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-4643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-4643
  • 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 V023-4643 available by request