V021-1896 Screening compound: 1-(butan-2-yl)-1-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-(propan-2-yl)urea

V021-1896 Screening compound: 1-(butan-2-yl)-1-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-(propan-2-yl)urea
V021-1896 Screening compound: 1-(butan-2-yl)-1-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-1896
1-(butan-2-yl)-1-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-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

V021-1896

Molecular Formula

C24H32FN3O3S (C24 H32 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)N(CC(N(CC1)C(COc2cc(F)ccc2)c2c1scc2)=O)C(NC(C)C)=O

InChI

InChI=1S/C24H32FN3O3S/c1-5-17(4)28(24(30)26-16(2)3)14-23(29)27-11-9-22-20(10-12-32-22)21(27)15-31-19-8-6-7-18(25)13-19/h6-8,10,12-13,16-17,21H,5,9,11,14-15H2,1-4H3,(H,26,30)

InChI Key

DNNARAHJAVSHNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19867683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.6

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

4.969

Distribution Coefficient, logD

4.969

Water Solubility, LogSw

-4.60

Polar Surface Area

49.003

Acid Dissociation Constant (pKa)

17.31

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

V021-1896 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 V021-1896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-1896?
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What is the minimum amount of V021-1896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-1896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-1896
  • 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 V021-1896 available by request