V018-3964 Screening compound: 1-(2-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-cyclopropyl-3-ethylurea

V018-3964 Screening compound: 1-(2-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-cyclopropyl-3-ethylurea
V018-3964 Screening compound: 1-(2-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-cyclopropyl-3-ethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-3964
1-(2-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-cyclopropyl-3-ethylurea

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

V018-3964

Molecular Formula

C22H26ClN3O3S (C22 H26 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-cyclopropyl-3-ethylurea

IUPAC name

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

SMILES

CCNC(N(CC(N(CC1)C(COc(cc2)ccc2Cl)c2c1scc2)=O)C1CC1)=O

InChI

InChI=1S/C22H26ClN3O3S/c1-2-24-22(28)26(16-5-6-16)13-21(27)25-11-9-20-18(10-12-30-20)19(25)14-29-17-7-3-15(23)4-8-17/h3-4,7-8,10,12,16,19H,2,5-6,9,11,13-14H2,1H3,(H,24,28)/t19-/m0/s1

InChI Key

MTDFPIDIKYQMLS-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19865177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.99

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.364

Distribution Coefficient, logD

4.364

Water Solubility, LogSw

-4.45

Polar Surface Area

49.631

Acid Dissociation Constant (pKa)

17.09

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

V018-3964 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 V018-3964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-3964?
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What is the minimum amount of V018-3964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-3964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-3964
  • 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 V018-3964 available by request