8018-3985 Screening compound: ethyl 4-[4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamido]benzoate

8018-3985 Screening compound: ethyl 4-[4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamido]benzoate
8018-3985 Screening compound: ethyl 4-[4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3985
ethyl 4-[4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamido]benzoate

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

8018-3985

Molecular Formula

C18H22IN3O3 (C18 H22 IN3 O3)

Compound Name

ethyl 4-[4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamido]benzoate

IUPAC name

ethyl 4-[4-(4-iodo-35-dimethyl-1H-pyrazol-1-yl)butanamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(CCCn1nc(C)c(I)c1C)=O)=O

InChI

InChI=1S/C18H22IN3O3/c1-4-25-18(24)14-7-9-15(10-8-14)20-16(23)6-5-11-22-13(3)17(19)12(2)21-22/h7-10H,4-6,11H2,1-3H3,(H,20,23)

InChI Key

XUDRWVRQWQPRQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.562

Distribution Coefficient, logD

2.562

Water Solubility, LogSw

-2.87

Polar Surface Area

58.402

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with 8018-3985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3985?
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What is the minimum amount of 8018-3985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3985
  • 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 8018-3985 available by request