V006-2351 Screening compound: 3-tert-butyl-1-{2-[5-(4-chlorophenyl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methylurea

V006-2351 Screening compound: 3-tert-butyl-1-{2-[5-(4-chlorophenyl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methylurea
V006-2351 Screening compound: 3-tert-butyl-1-{2-[5-(4-chlorophenyl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-2351
3-tert-butyl-1-{2-[5-(4-chlorophenyl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methylurea

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

V006-2351

Molecular Formula

C22H28ClN5O2 (C22 H28 ClN5 O2)

Compound Name

3-tert-butyl-1-{2-[5-(4-chlorophenyl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methylurea

IUPAC name

3-tert-butyl-1-{2-[5-(4-chlorophenyl)-3-(1-methyl-1H-pyrrol-2-yl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methylurea

SMILES

CC(C)(C)NC(N(C)CC(N(C(C1)c(cc2)ccc2Cl)N=C1c1cccn1C)=O)=O

InChI

InChI=1S/C22H28ClN5O2/c1-22(2,3)24-21(30)27(5)14-20(29)28-19(15-8-10-16(23)11-9-15)13-17(25-28)18-7-6-12-26(18)4/h6-12,19H,13-14H2,1-5H3,(H,24,30)/t19-/m0/s1

InChI Key

DUHOTQZTFJNHBV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19809604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.458

Distribution Coefficient, logD

4.458

Water Solubility, LogSw

-4.90

Polar Surface Area

54.664

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

V006-2351 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V006-2351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-2351?
Check Price and Availability of V006-2351, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V006-2351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-2351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-2351
  • 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 V006-2351 available by request