1900-3247 Screening compound: butyl 4-({2,2,2-trichloro-1-[(4-methoxyphenyl)formamido]ethyl}amino)benzoate

1900-3247 Screening compound: butyl 4-({2,2,2-trichloro-1-[(4-methoxyphenyl)formamido]ethyl}amino)benzoate
1900-3247 Screening compound: butyl 4-({2,2,2-trichloro-1-[(4-methoxyphenyl)formamido]ethyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1900-3247
butyl 4-({2,2,2-trichloro-1-[(4-methoxyphenyl)formamido]ethyl}amino)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

1900-3247

Molecular Formula

C21H23Cl3N2O4 (C21 H23 Cl3 N2 O4)

Compound Name

butyl 4-({2,2,2-trichloro-1-[(4-methoxyphenyl)formamido]ethyl}amino)benzoate

IUPAC name

butyl 4-({222-trichloro-1-[(4-methoxyphenyl)formamido]ethyl}amino)benzoate

SMILES

CCCCOC(c(cc1)ccc1NC(C(Cl)(Cl)Cl)NC(c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C21H23Cl3N2O4/c1-3-4-13-30-19(28)15-5-9-16(10-6-15)25-20(21(22,23)24)26-18(27)14-7-11-17(29-2)12-8-14/h5-12,20,25H,3-4,13H2,1-2H3,(H,26,27)/t20-/m1/s1

InChI Key

SOHZJYQUKMKARG-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD00648709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.78

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.759

Distribution Coefficient, logD

5.625

Water Solubility, LogSw

-6.03

Polar Surface Area

62.041

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

-5.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

1900-3247 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1900-3247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1900-3247?
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What is the minimum amount of 1900-3247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1900-3247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1900-3247
  • 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 1900-3247 available by request