V016-8782 Screening compound: 1-(2-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1,3-bis(propan-2-yl)urea

V016-8782 Screening compound: 1-(2-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1,3-bis(propan-2-yl)urea
V016-8782 Screening compound: 1-(2-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1,3-bis(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8782
1-(2-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1,3-bis(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

V016-8782

Molecular Formula

C23H30ClN3O3S (C23 H30 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-bis(propan-2-yl)urea

IUPAC name

1-(2-{4-[(4-chlorophenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-13-bis(propan-2-yl)urea

SMILES

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

InChI

InChI=1S/C23H30ClN3O3S/c1-15(2)25-23(29)27(16(3)4)13-22(28)26-11-9-21-19(10-12-31-21)20(26)14-30-18-7-5-17(24)6-8-18/h5-8,10,12,15-16,20H,9,11,13-14H2,1-4H3,(H,25,29)/t20-/m0/s1

InChI Key

UQLKMFLOIXYXMT-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19865168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.03

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

4.991

Distribution Coefficient, logD

4.991

Water Solubility, LogSw

-4.89

Polar Surface Area

49.419

Acid Dissociation Constant (pKa)

17.31

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

V016-8782 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 V016-8782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8782?
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What is the minimum amount of V016-8782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8782
  • 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 V016-8782 available by request