Y010-1941 Screening compound: N-allyl-N'-{2-[4,7-dichloro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl}thiourea

Y010-1941 Screening compound: N-allyl-N'-{2-[4,7-dichloro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl}thiourea
Y010-1941 Screening compound: N-allyl-N'-{2-[4,7-dichloro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1941
N-allyl-N'-{2-[4,7-dichloro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl}thiourea

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

Y010-1941

Molecular Formula

C20H18Cl2FN3S (C20 H18 Cl2 FN3 S)

Compound Name

N-allyl-N'-{2-[4,7-dichloro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl}thiourea

IUPAC name

1-{2-[47-dichloro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl}-3-(prop-2-en-1-yl)thiourea

SMILES

C=CCNC(NCCc(c1c(cc2)Cl)c(-c(cc3)ccc3F)[nH]c1c2Cl)=S

InChI

InChI=1S/C20H18Cl2FN3S/c1-2-10-24-20(27)25-11-9-14-17-15(21)7-8-16(22)19(17)26-18(14)12-3-5-13(23)6-4-12/h2-8,26H,1,9-11H2,(H2,24,25,27)

InChI Key

KNQLRGBELUGZTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02116014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.35

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.121

Distribution Coefficient, logD

5.121

Water Solubility, LogSw

-6.00

Polar Surface Area

32.278

Acid Dissociation Constant (pKa)

15.55

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

Y010-1941 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y010-1941 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1941?
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What is the minimum amount of Y010-1941 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1941
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1941
  • 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 Y010-1941 available by request