6049-2540 Screening compound: 5-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-N~2~-{1-[2-(diethylamino)ethyl]-1H-1,3-benzimidazol-2-yl}-2-furamide

6049-2540 Screening compound: 5-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-N~2~-{1-[2-(diethylamino)ethyl]-1H-1,3-benzimidazol-2-yl}-2-furamide
6049-2540 Screening compound: 5-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-N~2~-{1-[2-(diethylamino)ethyl]-1H-1,3-benzimidazol-2-yl}-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-2540
5-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-N~2~-{1-[2-(diethylamino)ethyl]-1H-1,3-benzimidazol-2-yl}-2-furamide

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

6049-2540

Molecular Formula

C23H26ClN7O4 (C23 H26 ClN7 O4)

Compound Name

5-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-N~2~-{1-[2-(diethylamino)ethyl]-1H-1,3-benzimidazol-2-yl}-2-furamide

IUPAC name

n/a

SMILES

CCN(CC)CCn1c(NC(c2ccc(Cn(c(C)c3Cl)nc3[N+]([O-])=O)o2)=O)nc2c1cccc2

InChI

InChI=1S/C23H26ClN7O4/c1-4-28(5-2)12-13-29-18-9-7-6-8-17(18)25-23(29)26-22(32)19-11-10-16(35-19)14-30-15(3)20(24)21(27-30)31(33)34/h6-11H,4-5,12-14H2,1-3H3,(H,25,26,32)

InChI Key

OHYQEDIDEJTZOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03073133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.96

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.937

Distribution Coefficient, logD

2.133

Water Solubility, LogSw

-4.37

Polar Surface Area

93.688

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

9.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

6049-2540 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6049-2540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-2540?
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What is the minimum amount of 6049-2540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-2540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-2540
  • 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 6049-2540 available by request