V027-5528 Screening compound: 3-tert-butyl-1-{2-[3-(2-fluorophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)urea

V027-5528 Screening compound: 3-tert-butyl-1-{2-[3-(2-fluorophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)urea
V027-5528 Screening compound: 3-tert-butyl-1-{2-[3-(2-fluorophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-5528
3-tert-butyl-1-{2-[3-(2-fluorophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)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

V027-5528

Molecular Formula

C23H29FN4O3S (C23 H29 FN4 O3 S)

Compound Name

3-tert-butyl-1-{2-[3-(2-fluorophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)urea

IUPAC name

3-tert-butyl-1-{2-[3-(2-fluorophenyl)-5-(thiophen-2-yl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)urea

SMILES

CC(C)(C)NC(N(CCOC)CC(N(C(C1)c2cccs2)N=C1c(cccc1)c1F)=O)=O

InChI

InChI=1S/C23H29FN4O3S/c1-23(2,3)25-22(30)27(11-12-31-4)15-21(29)28-19(20-10-7-13-32-20)14-18(26-28)16-8-5-6-9-17(16)24/h5-10,13,19H,11-12,14-15H2,1-4H3,(H,25,30)/t19-/m0/s1

InChI Key

CTYKJPSYOFQRHF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19801935

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

460.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.742

Distribution Coefficient, logD

3.742

Water Solubility, LogSw

-3.94

Polar Surface Area

61.647

Acid Dissociation Constant (pKa)

16.59

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

V027-5528 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V027-5528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-5528?
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What is the minimum amount of V027-5528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-5528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-5528
  • 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 V027-5528 available by request