V013-1303 Screening compound: 3-tert-butyl-1-{2-[3-(4-fluorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)urea

V013-1303 Screening compound: 3-tert-butyl-1-{2-[3-(4-fluorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)urea
V013-1303 Screening compound: 3-tert-butyl-1-{2-[3-(4-fluorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-1303
3-tert-butyl-1-{2-[3-(4-fluorophenyl)-5-(furan-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

V013-1303

Molecular Formula

C23H29FN4O4 (C23 H29 FN4 O4)

Compound Name

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

IUPAC name

3-tert-butyl-1-{2-[3-(4-fluorophenyl)-5-(furan-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)c2ccco2)N=C1c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C23H29FN4O4/c1-23(2,3)25-22(30)27(11-13-31-4)15-21(29)28-19(20-6-5-12-32-20)14-18(26-28)16-7-9-17(24)10-8-16/h5-10,12,19H,11,13-15H2,1-4H3,(H,25,30)/t19-/m1/s1

InChI Key

RNFMOLSJSSJAPU-LJQANCHMSA-N

MDL Number (MFCD)

MFCD19801661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.426

Distribution Coefficient, logD

3.426

Water Solubility, LogSw

-3.44

Polar Surface Area

69.207

Acid Dissociation Constant (pKa)

16.59

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with V013-1303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-1303?
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What is the minimum amount of V013-1303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-1303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-1303
  • 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 V013-1303 available by request