V021-1849 Screening compound: 3-tert-butyl-1-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-(2-methylbutyl)urea

V021-1849 Screening compound: 3-tert-butyl-1-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-(2-methylbutyl)urea
V021-1849 Screening compound: 3-tert-butyl-1-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-(2-methylbutyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-1849
3-tert-butyl-1-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-(2-methylbutyl)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

V021-1849

Molecular Formula

C26H36FN3O3S (C26 H36 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C26H36FN3O3S/c1-6-18(2)15-29(25(32)28-26(3,4)5)16-24(31)30-12-10-23-21(11-13-34-23)22(30)17-33-20-9-7-8-19(27)14-20/h7-9,11,13-14,18,22H,6,10,12,15-17H2,1-5H3,(H,28,32)

InChI Key

BDXPSXDQLKDHQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19867711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.65

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

5.931

Distribution Coefficient, logD

5.931

Water Solubility, LogSw

-5.53

Polar Surface Area

49.525

Acid Dissociation Constant (pKa)

16.59

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.80

V021-1849 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 V021-1849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-1849?
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What is the minimum amount of V021-1849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-1849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-1849
  • 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 V021-1849 available by request