C795-0075 Screening compound: 3-{5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl}-1-(4-chlorophenyl)urea

C795-0075 Screening compound: 3-{5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl}-1-(4-chlorophenyl)urea
C795-0075 Screening compound: 3-{5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl}-1-(4-chlorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0075
3-{5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl}-1-(4-chlorophenyl)urea

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

C795-0075

Molecular Formula

C17H16ClN5OS (C17 H16 ClN5 OS)

Compound Name

3-{5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl}-1-(4-chlorophenyl)urea

IUPAC name

3-{5-[benzyl(methyl)amino]-134-thiadiazol-2-yl}-1-(4-chlorophenyl)urea

SMILES

CN(Cc1ccccc1)c1nnc(NC(Nc(cc2)ccc2Cl)=O)s1

InChI

InChI=1S/C17H16ClN5OS/c1-23(11-12-5-3-2-4-6-12)17-22-21-16(25-17)20-15(24)19-14-9-7-13(18)8-10-14/h2-10H,11H2,1H3,(H2,19,20,21,24)

InChI Key

UOEZDFPTCFETBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.044

Distribution Coefficient, logD

5.044

Water Solubility, LogSw

-5.14

Polar Surface Area

58.856

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

C795-0075 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C795-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0075?
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What is the minimum amount of C795-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0075
  • 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 C795-0075 available by request